4-(4-methoxyphenyl)-1-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethyl]piperidine-2,6-dione

Systemtic Name: 4-(4-methoxyphenyl)-1-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethyl]piperidine-2,6-dione Openeye Name: 4-(4-methoxyphenyl)-1-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethyl]piperidine-2,6-dione CAS Name: 4-(4-methoxyphenyl)-1-[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]ethyl]piperidine-2,6-dione IUPAC Name: 4-(4-methoxyphenyl)-1-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethyl]piperidine-2,6-dione Traditional Name: 4-(4-methoxyphenyl)-1-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethyl]piperidine-2,6-quinone Formula: C25H32N3O3+ MolecularWeight: 422.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCN3C(=O)CC(CC3=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCN3C(=O)CC(CC3=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N3O3/c1-19-5-3-4-6-23(19)27-14-11-26(12-15-27)13-16-28-24(29)17-21(18-25(28)30)20-7-9-22(31-2)10-8-20/h3-10,21H,11-18H2,1-2H3/p+1