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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=CS2)C#N

InChI

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