(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-(o-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-(2-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-(o-tolyl)pyrrolidine-2,5-quinone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H25N3O3/c1-16-7-3-4-8-17(16)25-21(26)15-19(22(25)27)24-13-11-23(12-14-24)18-9-5-6-10-20(18)28-2/h3-10,19H,11-15H2,1-2H3/p+1/t19-/m0/s1