(3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methyl-1-piperazine-1,4-diiumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C21H33N3O3+2 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C21H31N3O3/c1-3-4-5-6-15-27-18-9-7-17(8-10-18)24-20(25)16-19(21(24)26)23-13-11-22(2)12-14-23/h7-10,19H,3-6,11-16H2,1-2H3/p+2/t19-/m0/s1