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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C17H22N2O3/c1-2-22-14-8-6-7-13(11-14)19-16(20)12-15(17(19)21)18-9-4-3-5-10-18/h6-8,11,15H,2-5,9-10,12H2,1H3/p+1/t15-/m0/s1