[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-[(1-cyanoindolizin-2-yl)methyl]-ethyl-azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-[(1-cyanoindolizin-2-yl)methyl]-ethyl-azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-[(1-cyanoindolizin-2-yl)methyl]-ethyl-ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(1-cyano-2-indolizinyl)methyl]-ethylammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(1-cyanoindolizin-2-yl)methyl]-ethylazanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-[(1-cyanoindolizin-2-yl)methyl]-ethyl-ammonium Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CN2C=CC=CC2=C1C#N)CC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC[NH+](CC1=CN2C=CC=CC2=C1C#N)CC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H23N5O2/c1-3-26(13-17-14-27-11-5-4-6-21(27)20(17)12-23)15-22(29)25-19-9-7-18(8-10-19)24-16(2)28/h4-11,14H,3,13,15H2,1-2H3,(H,24,28)(H,25,29)/p+1