8-(P-COTYLBENZYL)TROPINIUM BROMIDE BENZOATE

58128-72-6

MFCD01677484

C30 H42 N O2 . Br

528.571

InChI=1S/C30H42NO2.BrH/c1-3-4-5-6-7-9-12-24-15-17-25(18-16-24)23-31(2)27-19-20-28(31)22-29(21-27)33-30(32)26-13-10-8-11-14-26;/h8,10-11,13-18,27-29H,3-7,9,12,19-23H2,1-2H3;1H/q+1;/p-1/t27-,28+,29?,31?;

InChIKey=SJCMALRVQZBXLS-IWXIXTJGSA-M

CCCCCCCCc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4)C.[Br-]

H bond donor:0

H bond acceptor:3

XLogP3:6.0

Bulk/Fine:F