[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=CS2)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=CS2)C#N)C

InChI

InChI=1S/C17H19N3OS/c1-12-4-5-15(13(2)8-12)10-20(3)11-16(21)19-17-14(9-18)6-7-22-17/h4-8H,10-11H2,1-3H3,(H,19,21)/p+1