4-[(4-chlorophenyl)methyl]-2-(3-piperidin-1-ium-1-ylpropyl)phthalazin-1-one

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-(3-piperidin-1-ium-1-ylpropyl)phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-(3-piperidin-1-ium-1-ylpropyl)phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-[3-(1-piperidin-1-iumyl)propyl]-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(3-piperidin-1-ium-1-ylpropyl)phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-(3-piperidin-1-ium-1-ylpropyl)phthalazin-1-one Formula: C23H27ClN3O+ MolecularWeight: 396.93298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O/c24-19-11-9-18(10-12-19)17-22-20-7-2-3-8-21(20)23(28)27(25-22)16-6-15-26-13-4-1-5-14-26/h2-3,7-12H,1,4-6,13-17H2/p+1