2-[2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-methoxy-4-oxo-1-pyridyl]-N-(o-tolyl)acetamide CAS Name: 2-[2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-methoxy-4-oxopyridin-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-keto-5-methoxy-1-pyridyl]-N-(o-tolyl)acetamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCN(CC3)C(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCN(CC3)C(=O)C)OC

InChI

InChI=1S/C22H28N4O4/c1-16-6-4-5-7-19(16)23-22(29)15-26-14-21(30-3)20(28)12-18(26)13-24-8-10-25(11-9-24)17(2)27/h4-7,12,14H,8-11,13,15H2,1-3H3,(H,23,29)/p+1