2-azanyl-N3-(2-methoxyphenyl)-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarboxamide

Systemtic Name: 2-azanyl-N3-(2-methoxyphenyl)-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarboxamide Openeye Name: 2-amino-N3-(2-methoxyphenyl)-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarboxamide CAS Name: 2-amino-N3-(2-methoxyphenyl)-6-(phenacylthio)pyridin-1-ium-3,5-dicarboxamide IUPAC Name: 2-amino-3-N-(2-methoxyphenyl)-6-phenacylsulfanylpyridin-1-ium-3,5-dicarboxamide Traditional Name: 2-amino-N-(2-methoxyphenyl)-6-(phenacylthio)pyridin-1-ium-3,5-dicarboxamide Formula: C22H21N4O4S+ MolecularWeight: 437.49154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C([NH+]=C2N)SCC(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C([NH+]=C2N)SCC(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H20N4O4S/c1-30-18-10-6-5-9-16(18)25-21(29)14-11-15(20(24)28)22(26-19(14)23)31-12-17(27)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,23,26)(H2,24,28)(H,25,29)/p+1