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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+](C)CC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+](C)CC2=C(C=C(C=C2)C)C

InChI

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