(5-chloranylthiophen-2-yl)methyl-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (5-chloro-2-thienyl)methyl-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C17H22ClN2OS+ MolecularWeight: 337.88738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC=C(S2)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C17H21ClN2OS/c1-4-13-5-7-14(8-6-13)19-17(21)12(2)20(3)11-15-9-10-16(18)22-15/h5-10,12H,4,11H2,1-3H3,(H,19,21)/p+1/t12-/m0/s1