methyl-[(3S)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3S)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidin-3-yl]azanium Traditional Name: benzyl-[(3S)-1-(4-keto-3H-phthalazine-1-carbonyl)-3-piperidyl]-methyl-ammonium Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O2/c1-25(14-16-8-3-2-4-9-16)17-10-7-13-26(15-17)22(28)20-18-11-5-6-12-19(18)21(27)24-23-20/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,24,27)/p+1/t17-/m0/s1