4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C25H30N5O2+ MolecularWeight: 432.538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H29N5O2/c1-18-7-2-5-11-22(18)29-15-13-28(14-16-29)19-8-6-12-30(17-19)25(32)23-20-9-3-4-10-21(20)24(31)27-26-23/h2-5,7,9-11,19H,6,8,12-17H2,1H3,(H,27,31)/p+1/t19-/m0/s1