methyl-[(1-oxidanylidenephthalazin-2-yl)methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(1-oxidanylidenephthalazin-2-yl)methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(1-oxophthalazin-2-yl)methyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(1-oxo-2-phthalazinyl)methyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(1-oxophthalazin-2-yl)methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (1-ketophthalazin-2-yl)methyl-methyl-(2-piperidinobenzyl)ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H26N4O/c1-24(17-26-22(27)20-11-5-3-9-18(20)15-23-26)16-19-10-4-6-12-21(19)25-13-7-2-8-14-25/h3-6,9-12,15H,2,7-8,13-14,16-17H2,1H3/p+1