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

Systemtic Name: (3S)-1-(4-butoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-butoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-butoxyphenyl)-3-(4-methyl-1-piperazine-1,4-diiumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-butoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-butoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C19H29N3O3+2 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C19H27N3O3/c1-3-4-13-25-16-7-5-15(6-8-16)22-18(23)14-17(19(22)24)21-11-9-20(2)10-12-21/h5-8,17H,3-4,9-14H2,1-2H3/p+2/t17-/m0/s1