N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(3-morpholin-4-ium-4-ylpropyl)-3-propyl-phthalazine-1-carboxamide Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H26N4O3/c1-2-9-23-19(25)16-7-4-3-6-15(16)17(21-23)18(24)20-8-5-10-22-11-13-26-14-12-22/h3-4,6-7H,2,5,8-14H2,1H3,(H,20,24)/p+1