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

Systemtic Name: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-keto-2-(p-toluidino)ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C16H21N2OS+ MolecularWeight: 289.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)C(C)C2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)[C@@H](C)C2=CC=CS2

InChI

InChI=1S/C16H20N2OS/c1-12-6-8-14(9-7-12)17-16(19)11-18(3)13(2)15-5-4-10-20-15/h4-10,13H,11H2,1-3H3,(H,17,19)/p+1/t13-/m0/s1