3-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-ethoxyphenyl)-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-p-phenetyl-phthalazine-1-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CCC(CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CCC(CC4)C

InChI

InChI=1S/C26H32N4O3/c1-3-33-21-11-9-20(10-12-21)30-26(32)23-8-5-4-7-22(23)24(28-30)25(31)27-15-6-16-29-17-13-19(2)14-18-29/h4-5,7-12,19H,3,6,13-18H2,1-2H3,(H,27,31)/p+1