3-(2-methoxyphenyl)-4-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide

Systemtic Name: 3-(2-methoxyphenyl)-4-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide Openeye Name: 3-(2-methoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide CAS Name: 3-(2-methoxyphenyl)-4-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(2-methoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C22H24N4O3/c1-29-19-11-5-4-10-18(19)26-22(28)17-9-3-2-8-16(17)20(24-26)21(27)23-12-15-25-13-6-7-14-25/h2-5,8-11H,6-7,12-15H2,1H3,(H,23,27)/p+1