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

Systemtic Name: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](C)CC2=CSC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C17H20N2O2S/c1-12(19(3)10-14-7-8-22-11-14)17(21)18-16-6-4-5-15(9-16)13(2)20/h4-9,11-12H,10H2,1-3H3,(H,18,21)/p+1/t12-/m1/s1