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

Systemtic Name: (3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c1-29-20-9-7-18(8-10-20)11-12-26-22(27)17-21(23(26)28)25-15-13-24(14-16-25)19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3/p+1/t21-/m0/s1