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

Systemtic Name: (3S)-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-propoxyphenyl)-3-(1-pyrrolidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCCC3

InChI

InChI=1S/C17H22N2O3/c1-2-11-22-14-7-5-13(6-8-14)19-16(20)12-15(17(19)21)18-9-3-4-10-18/h5-8,15H,2-4,9-12H2,1H3/p+1/t15-/m0/s1