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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4Br

Isomeric SMILES

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4Br

InChI

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