dimethyl-[[4-[[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[4-oxo-4-(2-thienyl)butanoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: [4-[[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: dimethyl-[[4-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: [4-[[[4-keto-4-(2-thienyl)butanoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C18H22N2O2S/c1-20(2)13-15-7-5-14(6-8-15)12-19-18(22)10-9-16(21)17-4-3-11-23-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,22)/p+1