diethyl-[[2-[[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[4-(5-methyl-2-thiophenyl)-1,4-dioxobutyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[[4-keto-4-(5-methyl-2-thienyl)butanoyl]amino]methyl]benzyl]ammonium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C21H28N2O2S/c1-4-23(5-2)15-18-9-7-6-8-17(18)14-22-21(25)13-11-19(24)20-12-10-16(3)26-20/h6-10,12H,4-5,11,13-15H2,1-3H3,(H,22,25)/p+1