N-[(3-bromophenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Openeye Name: N-[(3-bromophenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine CAS Name: N-[(3-bromophenyl)methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolamine IUPAC Name: N-[(3-bromophenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Traditional Name: (3-bromobenzyl)-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amine Formula: C21H26BrN4+ MolecularWeight: 414.36194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H25BrN4/c22-18-8-6-7-17(15-18)16-23-21-24-19-9-2-3-10-20(19)26(21)14-13-25-11-4-1-5-12-25/h2-3,6-10,15H,1,4-5,11-14,16H2,(H,23,24)/p+1