3-[2-azanyl-3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-azanyl-3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-[2-(4-chlorophenyl)-2-oxoethyl]-1-benzimidazol-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-3-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-amino-3-[2-(4-chlorophenyl)-2-keto-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium Formula: C20H25ClN4O+2 MolecularWeight: 372.8917

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4O/c1-23(2)12-5-13-24-17-6-3-4-7-18(17)25(20(24)22)14-19(26)15-8-10-16(21)11-9-15/h3-4,6-11,22H,5,12-14H2,1-2H3/p+2