N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-piperidin-1-iumyl)propyl]-3-(4-ethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-4-keto-3-p-phenetyl-phthalazine-1-carboxamide Formula: C27H35N4O3+ MolecularWeight: 463.5918

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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+]4CC(CC(C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+]4CC(CC(C4)C)C

InChI

InChI=1S/C27H34N4O3/c1-4-34-22-12-10-21(11-13-22)31-27(33)24-9-6-5-8-23(24)25(29-31)26(32)28-14-7-15-30-17-19(2)16-20(3)18-30/h5-6,8-13,19-20H,4,7,14-18H2,1-3H3,(H,28,32)/p+1