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

Systemtic Name: 3-(4-ethoxyphenyl)-4-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide Openeye Name: 3-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide CAS Name: 3-(4-ethoxyphenyl)-4-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-p-phenetyl-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C23H26N4O3/c1-2-30-18-11-9-17(10-12-18)27-23(29)20-8-4-3-7-19(20)21(25-27)22(28)24-13-16-26-14-5-6-15-26/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,24,28)/p+1