[(1S)-2-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(5-chloro-2-thienyl)-4-keto-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H22ClN2O2S+ MolecularWeight: 365.89748

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC(=O)C1=CC=C(S1)Cl)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCC(=O)C1=CC=C(S1)Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H21ClN2O2S/c1-21(2)14(13-6-4-3-5-7-13)12-20-18(23)11-8-15(22)16-9-10-17(19)24-16/h3-7,9-10,14H,8,11-12H2,1-2H3,(H,20,23)/p+1/t14-/m1/s1