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

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]-[2-(2-thienyl)ethyl]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)[NH2+]CCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CCC3=CC=CS3

InChI

InChI=1S/C22H24N2O2S/c1-16-10-11-20(26-2)19(15-16)24-22(25)21(17-7-4-3-5-8-17)23-13-12-18-9-6-14-27-18/h3-11,14-15,21,23H,12-13H2,1-2H3,(H,24,25)/p+1/t21-/m0/s1