[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-ethyl-(phenylmethyl)azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=CC=C3Br

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=CC=C3Br

InChI

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