4-oxidanylidene-3-(phenylmethyl)-N-(3-piperidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-(3-piperidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(3-piperidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[3-(1-piperidin-1-iumyl)propyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(3-piperidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(3-piperidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c29-23(25-14-9-17-27-15-7-2-8-16-27)22-20-12-5-6-13-21(20)24(30)28(26-22)18-19-10-3-1-4-11-19/h1,3-6,10-13H,2,7-9,14-18H2,(H,25,29)/p+1