2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C19H26N4O2/c1-3-10-23-11-8-14(9-12-23)20-18(24)13-17-15-6-4-5-7-16(15)19(25)22(2)21-17/h4-7,14H,3,8-13H2,1-2H3,(H,20,24)/p+1