4-oxidanylidene-3-phenyl-N-(1-propylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-(1-propylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-(1-propylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-(1-propyl-4-piperidin-1-iumyl)-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-(1-propylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-(1-propylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-2-14-26-15-12-17(13-16-26)24-22(28)21-19-10-6-7-11-20(19)23(29)27(25-21)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,24,28)/p+1