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

Systemtic Name: [2-[[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]amino]methyl]benzyl]-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)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

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