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

Systemtic Name: (3S)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(1-piperidin-1-iumyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C18H24N2O3/c1-2-12-23-15-8-6-14(7-9-15)20-17(21)13-16(18(20)22)19-10-4-3-5-11-19/h6-9,16H,2-5,10-13H2,1H3/p+1/t16-/m0/s1