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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-(2-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=C(C(=C1)C[N+]2=C(NC3=CC=CC=C32)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=C(NC3=CC=CC=C32)N)Cl

InChI

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