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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC[C@H](C3)C

InChI

InChI=1S/C18H24N2O3/c1-3-23-15-8-6-14(7-9-15)20-17(21)11-16(18(20)22)19-10-4-5-13(2)12-19/h6-9,13,16H,3-5,10-12H2,1-2H3/p+1/t13-,16+/m1/s1