[2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-ethylphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-ethylphenyl)methyl]-methyl-azanium Openeye Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[(4-ethylphenyl)methyl]-methyl-ammonium CAS Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylammonium IUPAC Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium Traditional Name: [2-[(5-acetyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-(4-ethylbenzyl)-methyl-ammonium Formula: C22H29N2O4S+ MolecularWeight: 417.54166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C22H28N2O4S/c1-6-16-8-10-17(11-9-16)12-24(5)13-18(26)23-21-19(22(27)28-7-2)14(3)20(29-21)15(4)25/h8-11H,6-7,12-13H2,1-5H3,(H,23,26)/p+1