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

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)C(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)[C@H](C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H19N3OS/c1-12-7-8-22-16(12)11-20(3)13(2)17(21)19-15-6-4-5-14(9-15)10-18/h4-9,13H,11H2,1-3H3,(H,19,21)/p+1/t13-/m1/s1