1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylidene-3H-benzimidazol-1-yl)ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylidene-3H-benzimidazol-1-yl)ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylidene-3H-benzimidazol-1-yl)ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[2-(4-morpholin-4-iumylidene)-3H-benzimidazol-1-yl]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylidene-3H-benzimidazol-1-yl)ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ium-4-ylidene-3H-benzimidazol-1-yl)ethanone Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3NC2=[N+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3NC2=[N+]4CCOCC4)OC

InChI

InChI=1S/C21H23N3O4/c1-26-19-8-7-15(13-20(19)27-2)18(25)14-24-17-6-4-3-5-16(17)22-21(24)23-9-11-28-12-10-23/h3-8,13H,9-12,14H2,1-2H3/p+1