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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H25N3O3/c1-16-5-3-7-18(13-16)25-21(26)15-20(22(25)27)24-11-9-23(10-12-24)17-6-4-8-19(14-17)28-2/h3-8,13-14,20H,9-12,15H2,1-2H3/p+1/t20-/m0/s1