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

Systemtic Name: (3S)-3-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-methyl-1-piperazine-1,4-diiumyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C18H27N3O3+2 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N3O3/c1-3-12-24-15-6-4-14(5-7-15)21-17(22)13-16(18(21)23)20-10-8-19(2)9-11-20/h4-7,16H,3,8-13H2,1-2H3/p+2/t16-/m0/s1