[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C22H24N4O2/c1-4-28-17-11-9-16(10-12-17)14-25(2)15-21(27)18(13-23)22-24-19-7-5-6-8-20(19)26(22)3/h5-12,24H,4,14-15H2,1-3H3/p+1/b22-18+