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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3OS/c1-12-3-5-13(6-4-12)10-19(2)11-15(20)18-16-14(9-17)7-8-21-16/h3-8H,10-11H2,1-2H3,(H,18,20)/p+1