(1-cyanoindolizin-2-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (1-cyanoindolizin-2-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (1-cyanoindolizin-2-yl)methyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (1-cyano-2-indolizinyl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (1-cyanoindolizin-2-yl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium Traditional Name: (1-cyanoindolizin-2-yl)methyl-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C21H22N4O/c1-15-7-6-8-16(2)21(15)23-20(26)14-24(3)12-17-13-25-10-5-4-9-19(25)18(17)11-22/h4-10,13H,12,14H2,1-3H3,(H,23,26)/p+1