(3S)-1-(4-ethoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-3-23-15-6-4-14(5-7-15)20-17(21)12-16(18(20)22)19-10-8-13(2)9-11-19/h4-7,13,16H,3,8-12H2,1-2H3/p+1/t16-/m0/s1