[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl]-methylazanium Traditional Name: benzyl-[(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)[NH+](C)CC2=CC=CC=C2

InChI

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