1-(3-azanylpropyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine

Systemtic Name: 1-(3-azanylpropyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine Openeye Name: 1-(3-aminopropyl)-3-benzyl-benzimidazol-3-ium-2-amine CAS Name: 1-(3-aminopropyl)-3-(phenylmethyl)-2-benzimidazol-3-iumamine IUPAC Name: 1-(3-aminopropyl)-3-benzylbenzimidazol-3-ium-2-amine Traditional Name: 3-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)propylamine Formula: C17H21N4+ MolecularWeight: 281.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCN)N

InChI

InChI=1S/C17H20N4/c18-11-6-12-20-15-9-4-5-10-16(15)21(17(20)19)13-14-7-2-1-3-8-14/h1-5,7-10,19H,6,11-13,18H2/p+1