(3S)-1-(4-propoxyphenyl)-3-[(3R)-3-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-propoxyphenyl)-3-[(3R)-3-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-propoxyphenyl)-3-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-3-[(3R)-3-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-propoxyphenyl)-3-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-propoxyphenyl)-3-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCC(C3)C(=O)N4CCCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC[C@H](C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H31N3O4/c1-2-14-30-19-9-7-18(8-10-19)26-21(27)15-20(23(26)29)25-13-5-6-17(16-25)22(28)24-11-3-4-12-24/h7-10,17,20H,2-6,11-16H2,1H3/p+1/t17-,20+/m1/s1