N-BENZYLCINCHONIDINIUM CHLORIDE HYDRATE

CAS No.
69257-04-1
CCD No.
CCD00781179
Formula
C26 H29 N2 O . Cl . H2 O
MolWeight
438.996

Basic Information

Product Name: N-BENZYLCINCHONIDINIUM CHLORIDE HYDRATE
CAS: 69257-04-1
English Synonyms: N-BENZYLCINCHONIDINIUM CHLORIDE HYDRATE
MDL Number.: MFCD09750394
H bond acceptor: 3
H bond donor: 1
Smile: C=C[C@H]1C[N+]2(CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cccc4)O)Cc5ccccc5.O.[Cl-]
InChi: InChI=1S/C26H29N2O.ClH.H2O/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H;1H2/q+1;;/p-1/t20-,21-,25-,26+,28?;;/m0../s1
InChiKey: InChIKey=BWMHVBYRLKEKMN-PPPOVQKASA-M