2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one CAS Name: 2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H23N3O/c25-21-20-9-5-4-8-19(20)15-22-24(21)16-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,15,18H,10-14,16H2/p+1