[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CSC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C22H24N2O2S/c1-16-9-10-20(26-3)19(13-16)23-22(25)21(18-7-5-4-6-8-18)24(2)14-17-11-12-27-15-17/h4-13,15,21H,14H2,1-3H3,(H,23,25)/p+1/t21-/m0/s1