5-(2-azanylethyl)-4-[(4-fluorophenyl)methyl]-2,2-bis(phenylmethyl)phthalazin-2-ium-1-one

Systemtic Name: 5-(2-azanylethyl)-4-[(4-fluorophenyl)methyl]-2,2-bis(phenylmethyl)phthalazin-2-ium-1-one Openeye Name: 5-(2-aminoethyl)-2,2-dibenzyl-4-[(4-fluorophenyl)methyl]phthalazin-2-ium-1-one CAS Name: 5-(2-aminoethyl)-4-[(4-fluorophenyl)methyl]-2,2-bis(phenylmethyl)-1-phthalazin-2-iumone IUPAC Name: 5-(2-aminoethyl)-2,2-dibenzyl-4-[(4-fluorophenyl)methyl]phthalazin-2-ium-1-one Traditional Name: 5-(2-aminoethyl)-2,2-dibenzyl-4-(4-fluorobenzyl)phthalazin-2-ium-1-one Formula: C31H29FN3O+ MolecularWeight: 478.579863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2(C(=O)C3=C(C(=CC=C3)CCN)C(=N2)CC4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2(C(=O)C3=C(C(=CC=C3)CCN)C(=N2)CC4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C31H29FN3O/c32-27-16-14-23(15-17-27)20-29-30-26(18-19-33)12-7-13-28(30)31(36)35(34-29,21-24-8-3-1-4-9-24)22-25-10-5-2-6-11-25/h1-17H,18-22,33H2/q+1