methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-methyl-(3-thenyl)ammonium Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-16-8-10-19(11-9-16)22-21(24)20(18-6-4-3-5-7-18)23(2)14-17-12-13-25-15-17/h3-13,15,20H,14H2,1-2H3,(H,22,24)/p+1/t20-/m0/s1