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

Systemtic Name: (3R)-3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(m-tolyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(m-tolyl)pyrrolidine-2,5-quinone Formula: C28H30N3O2+ MolecularWeight: 440.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2/c1-21-9-8-14-24(19-21)31-26(32)20-25(28(31)33)29-15-17-30(18-16-29)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,25,27H,15-18,20H2,1H3/p+1/t25-/m1/s1