1-[(1-oxidanylidene-4-phenyl-phthalazin-2-yl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-oxidanylidene-4-phenyl-phthalazin-2-yl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1-oxo-4-phenyl-phthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-oxo-4-phenyl-2-phthalazinyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1-keto-4-phenyl-phthalazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c33-27(29-19-21-9-3-1-4-10-21)23-15-17-31(18-16-23)20-32-28(34)25-14-8-7-13-24(25)26(30-32)22-11-5-2-6-12-22/h1-14,23H,15-20H2,(H,29,33)/p+1