[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-(2-thenyl)ammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CC2=CC=CS2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CC2=CC=CS2

InChI

InChI=1S/C16H17N3OS/c1-12(19(2)11-15-7-4-8-21-15)16(20)18-14-6-3-5-13(9-14)10-17/h3-9,12H,11H2,1-2H3,(H,18,20)/p+1/t12-/m1/s1