[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-ethyl-ammonium CAS Name: [1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-ethylazanium Traditional Name: benzyl-[1-(4-bromobenzyl)piperidin-1-ium-4-yl]-ethyl-ammonium Formula: C21H29BrN2+2 MolecularWeight: 389.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H27BrN2/c1-2-24(17-18-6-4-3-5-7-18)21-12-14-23(15-13-21)16-19-8-10-20(22)11-9-19/h3-11,21H,2,12-17H2,1H3/p+2