[(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(1S)-2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(1S)-2-(3-acetylanilino)-2-keto-1-phenyl-ethyl]-methyl-(2-thenyl)ammonium Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC=CS3

InChI

InChI=1S/C22H22N2O2S/c1-16(25)18-10-6-11-19(14-18)23-22(26)21(17-8-4-3-5-9-17)24(2)15-20-12-7-13-27-20/h3-14,21H,15H2,1-2H3,(H,23,26)/p+1/t21-/m0/s1