2-(6-chloranyl-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)ethyl ethanoate

Systemtic Name: 2-(6-chloranyl-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)ethyl ethanoate Openeye Name: 2-(6-chloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)ethyl acetate CAS Name: acetic acid 2-(6-chloro-2-methyl-3-phenyl-1-benzimidazol-1-iumyl)ethyl ester IUPAC Name: 2-(6-chloro-2-methyl-3-phenylbenzimidazol-1-ium-1-yl)ethyl acetate Traditional Name: acetic acid 2-(6-chloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)ethyl ester Formula: C18H18ClN2O2+ MolecularWeight: 329.80072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCOC(=O)C

Isomeric SMILES

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCOC(=O)C

InChI

InChI=1S/C18H18ClN2O2/c1-13-20(10-11-23-14(2)22)18-12-15(19)8-9-17(18)21(13)16-6-4-3-5-7-16/h3-9,12H,10-11H2,1-2H3/q+1