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

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-[2-(2-thienyl)ethyl]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)[NH2+]CCC3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-16-9-11-18(12-10-16)23-21(24)20(17-6-3-2-4-7-17)22-14-13-19-8-5-15-25-19/h2-12,15,20,22H,13-14H2,1H3,(H,23,24)/p+1/t20-/m0/s1