8-(P-PENTYLBENZYL)TROPINIUM BROMIDE BENZOATE

CAS No.
102263-14-9
CCD No.
CCD00238777
Formula
C27 H36 N O2 . Br
MolWeight
486.49

Basic Information

Product Name: 8-(P-PENTYLBENZYL)TROPINIUM BROMIDE BENZOATE
CAS: 102263-14-9
English Synonyms: 8-(P-PENTYLBENZYL)TROPINIUM BROMIDE BENZOATE
MDL Number.: MFCD01677490
H bond acceptor: 3
H bond donor: 0
Smile: CCCCCc1ccc(cc1)C[N+]2([C@H]3CC[C@@H]2CC(C3)OC(=O)c4ccccc4)C.[Br-]
InChi: InChI=1S/C27H36NO2.BrH/c1-3-4-6-9-21-12-14-22(15-13-21)20-28(2)24-16-17-25(28)19-26(18-24)30-27(29)23-10-7-5-8-11-23;/h5,7-8,10-15,24-26H,3-4,6,9,16-20H2,1-2H3;1H/q+1;/p-1/t24-,25+,26?,28?;
InChiKey: InChIKey=JUOKBYIVHAVHOR-LZPQLTMTSA-M

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