dimethyl-[(3S)-1-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]piperidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]piperidin-3-yl]azanium Openeye Name: dimethyl-[(3S)-1-[2-(1-oxophthalazin-2-yl)acetyl]-3-piperidyl]ammonium CAS Name: dimethyl-[(3S)-1-[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]-3-piperidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-[2-(1-oxophthalazin-2-yl)acetyl]piperidin-3-yl]azanium Traditional Name: [(3S)-1-[2-(1-ketophthalazin-2-yl)acetyl]-3-piperidyl]-dimethyl-ammonium Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

C[NH+](C)[C@H]1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C17H22N4O2/c1-19(2)14-7-5-9-20(11-14)16(22)12-21-17(23)15-8-4-3-6-13(15)10-18-21/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3/p+1/t14-/m0/s1