3-(2-methylpropyl)-4-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C20H28N4O2/c1-15(2)14-24-20(26)17-9-4-3-8-16(17)18(22-24)19(25)21-10-7-13-23-11-5-6-12-23/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,21,25)/p+1