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

Systemtic Name: [1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-ammonium CAS Name: [1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-phenethylazanium Traditional Name: benzyl-[1-(4-bromobenzyl)piperidin-1-ium-4-yl]-phenethyl-ammonium Formula: C27H33BrN2+2 MolecularWeight: 465.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H31BrN2/c28-26-13-11-25(12-14-26)21-29-18-16-27(17-19-29)30(22-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23/h1-14,27H,15-22H2/p+2