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

Systemtic Name: [2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-benzyl-methylazanium Traditional Name: [2-[(5-acetyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-benzyl-methyl-ammonium Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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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=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-5-26-20(25)17-13(2)18(14(3)23)27-19(17)21-16(24)12-22(4)11-15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3,(H,21,24)/p+1