1-[(4-bromophenyl)methyl]-3-[(4-tert-butylphenyl)methyl]-1-(phenylmethyl)piperidin-1-ium bromide

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-[(4-tert-butylphenyl)methyl]-1-(phenylmethyl)piperidin-1-ium bromide Openeye Name: 1-benzyl-1-[(4-bromophenyl)methyl]-3-[(4-tert-butylphenyl)methyl]piperidin-1-ium bromide CAS Name: 1-[(4-bromophenyl)methyl]-3-[(4-tert-butylphenyl)methyl]-1-(phenylmethyl)piperidin-1-ium bromide IUPAC Name: 1-benzyl-1-[(4-bromophenyl)methyl]-3-[(4-tert-butylphenyl)methyl]piperidin-1-ium bromide Traditional Name: 1-benzyl-1-(4-bromobenzyl)-3-(4-tert-butylbenzyl)piperidin-1-ium bromide Formula: C30H37Br2N MolecularWeight: 571.42948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC2CCC[N+](C2)(CC3=CC=CC=C3)CC4=CC=C(C=C4)Br.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC2CCC[N+](C2)(CC3=CC=CC=C3)CC4=CC=C(C=C4)Br.[Br-]

InChI

InChI=1S/C30H37BrN.BrH/c1-30(2,3)28-15-11-24(12-16-28)20-27-10-7-19-32(23-27,21-25-8-5-4-6-9-25)22-26-13-17-29(31)18-14-26;/h4-6,8-9,11-18,27H,7,10,19-23H2,1-3H3;1H/q+1;/p-1