methyl-[(3R)-1-[2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanoyl]piperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3R)-1-[2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanoyl]piperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3R)-1-[2-(4-methyl-1-oxo-phthalazin-2-yl)acetyl]-3-piperidyl]ammonium CAS Name: methyl-[(3R)-1-[2-(4-methyl-1-oxo-2-phthalazinyl)-1-oxoethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3R)-1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidin-3-yl]azanium Traditional Name: benzyl-[(3R)-1-[2-(1-keto-4-methyl-phthalazin-2-yl)acetyl]-3-piperidyl]-methyl-ammonium Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCCC(C3)[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC[C@H](C3)[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-18-21-12-6-7-13-22(21)24(30)28(25-18)17-23(29)27-14-8-11-20(16-27)26(2)15-19-9-4-3-5-10-19/h3-7,9-10,12-13,20H,8,11,14-17H2,1-2H3/p+1/t20-/m1/s1