3-butyl-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(2-morpholin-4-ium-4-ylethyl)phthalazine-1-carboxamide Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H26N4O3/c1-2-3-9-23-19(25)16-7-5-4-6-15(16)17(21-23)18(24)20-8-10-22-11-13-26-14-12-22/h4-7H,2-3,8-14H2,1H3,(H,20,24)/p+1