1-DODECYLCARBAMOYLMETHYL-3-(METHYLCARBAMOYL)-PYRIDINIUM CHLORIDE

CAS No.
114163-96-1
CCD No.
CCD00022183
Formula
C21 H36 N3 O2 . Cl
MolWeight
397.987

Basic Information

Product Name: 1-DODECYLCARBAMOYLMETHYL-3-(METHYLCARBAMOYL)-PYRIDINIUM CHLORIDE
CAS: 114163-96-1
English Synonyms: 1-DODECYLCARBAMOYLMETHYL-3-(METHYLCARBAMOYL)-PYRIDINIUM CHLORIDE
MDL Number.: MFCD00031957
H bond acceptor: 5
H bond donor: 2
Smile: CCCCCCCCCCCCNC(=O)C[n+]1cccc(c1)C(=O)NC.[Cl-]
InChi: InChI=1S/C21H35N3O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-15-23-20(25)18-24-16-13-14-19(17-24)21(26)22-2;/h13-14,16-17H,3-12,15,18H2,1-2H3,(H-,22,23,25,26);1H
InChiKey: InChIKey=PVTFFCXWFNZLLP-UHFFFAOYSA-N

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