4-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3H-phthalazine-1-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O2/c27-21-19-7-3-2-6-18(19)20(24-25-21)22(28)23-14-16-8-10-17(11-9-16)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-15H2,(H,23,28)(H,25,27)/p+1