[(1S)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H26N2O2S/c1-14-12-17(15(2)25-14)19(23)10-11-20(24)21-13-18(22(3)4)16-8-6-5-7-9-16/h5-9,12,18H,10-11,13H2,1-4H3,(H,21,24)/p+1/t18-/m1/s1