dimethyl-[(1S)-2-[4-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)butanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[4-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)butanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[4-(4-methyl-2-oxo-thiazol-3-yl)butanoylamino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[4-(4-methyl-2-oxo-3-thiazolyl)-1-oxobutyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[4-(2-keto-4-methyl-4-thiazolin-3-yl)butanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CSC(=O)N1CCCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C18H25N3O2S/c1-14-13-24-18(23)21(14)11-7-10-17(22)19-12-16(20(2)3)15-8-5-4-6-9-15/h4-6,8-9,13,16H,7,10-12H2,1-3H3,(H,19,22)/p+1/t16-/m1/s1