4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-1-ium-4-yl]phthalazin-1-one

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-1-ium-4-yl]phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-1-ium-4-yl]phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methyl-4-azepan-1-iumyl]-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-1-ium-4-yl]phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-[(4S)-1-methylazepan-1-ium-4-yl]phthalazin-1-one Formula: C22H25ClN3O+ MolecularWeight: 382.9064

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCC[C@@H](CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/p+1/t18-/m0/s1