3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-(4-chlorobenzyl)-1H-benzimidazol-3-ium-2-yl]amine Formula: C14H13ClN3+ MolecularWeight: 258.72612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)/p+1