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

Systemtic Name: (3S)-1-(3-ethoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-ethoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-ethoxyphenyl)-3-(4-methyl-1-piperazine-1,4-diiumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-ethoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-methylpiperazine-1,4-diium-1-yl)-1-m-phenetyl-pyrrolidine-2,5-quinone Formula: C17H25N3O3+2 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C17H23N3O3/c1-3-23-14-6-4-5-13(11-14)20-16(21)12-15(17(20)22)19-9-7-18(2)8-10-19/h4-6,11,15H,3,7-10,12H2,1-2H3/p+2/t15-/m0/s1