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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C17H23N2OS+ MolecularWeight: 303.44232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CSC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C17H22N2OS/c1-4-14-5-7-16(8-6-14)18-17(20)13(2)19(3)11-15-9-10-21-12-15/h5-10,12-13H,4,11H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1