[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C16H17ClN3OS+ MolecularWeight: 334.84368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH+](C)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH+](C)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H16ClN3OS/c1-11(15-4-3-7-22-15)20(2)10-16(21)19-13-6-5-12(9-18)14(17)8-13/h3-8,11H,10H2,1-2H3,(H,19,21)/p+1/t11-/m0/s1