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

Systemtic Name: (3S)-1-(5-methoxy-2-methyl-phenyl)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(5-methoxy-2-methyl-phenyl)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(5-methoxy-2-methylphenyl)-3-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(5-methoxy-2-methylphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(5-methoxy-2-methyl-phenyl)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-16-7-8-19(30-3)14-20(16)26-22(27)15-21(23(26)28)25-11-9-24(10-12-25)17-5-4-6-18(13-17)29-2/h4-8,13-14,21H,9-12,15H2,1-3H3/p+1/t21-/m0/s1