[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)[NH2+]CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)[NH2+]CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C17H19N3OS/c1-12(2)16(13-6-4-3-5-7-13)19-11-15(21)20-17-14(10-18)8-9-22-17/h3-9,12,16,19H,11H2,1-2H3,(H,20,21)/p+1/t16-/m1/s1