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

Systemtic Name: methyl-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]-methyl-(3-thenyl)ammonium Formula: C16H21N2OS+ MolecularWeight: 289.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CSC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CSC=C2

InChI

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