4-[3,4-bis(fluoranyl)phenyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one Openeye Name: 4-(3,4-difluorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one CAS Name: 4-(3,4-difluorophenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-phthalazinone IUPAC Name: 4-(3,4-difluorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 4-(3,4-difluorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]phthalazin-1-one Formula: C21H22F2N3O+ MolecularWeight: 370.415686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)F)F

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H21F2N3O/c1-14-8-10-25(11-9-14)13-26-21(27)17-5-3-2-4-16(17)20(24-26)15-6-7-18(22)19(23)12-15/h2-7,12,14H,8-11,13H2,1H3/p+1