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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-morpholin-4-ium-4-ylethyl)-3-propyl-phthalazine-1-carboxamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-2-8-22-18(24)15-6-4-3-5-14(15)16(20-22)17(23)19-7-9-21-10-12-25-13-11-21/h3-6H,2,7-13H2,1H3,(H,19,23)/p+1