[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C17H23N2OS+ MolecularWeight: 303.44232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2OS/c1-12-5-6-13(2)16(9-12)18-17(20)14(3)19(4)10-15-7-8-21-11-15/h5-9,11,14H,10H2,1-4H3,(H,18,20)/p+1/t14-/m0/s1