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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

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