1-(4-ethoxyphenyl)-3-pyridin-1-ium-2-ylsulfanyl-pyrrolidine-2,5-dione

Systemtic Name: 1-(4-ethoxyphenyl)-3-pyridin-1-ium-2-ylsulfanyl-pyrrolidine-2,5-dione Openeye Name: 1-(4-ethoxyphenyl)-3-pyridin-1-ium-2-ylsulfanyl-pyrrolidine-2,5-dione CAS Name: 1-(4-ethoxyphenyl)-3-(2-pyridin-1-iumylthio)pyrrolidine-2,5-dione IUPAC Name: 1-(4-ethoxyphenyl)-3-pyridin-1-ium-2-ylsulfanylpyrrolidine-2,5-dione Traditional Name: 1-p-phenetyl-3-(pyridin-1-ium-2-ylthio)pyrrolidine-2,5-quinone Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=[NH+]3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=[NH+]3

InChI

InChI=1S/C17H16N2O3S/c1-2-22-13-8-6-12(7-9-13)19-16(20)11-14(17(19)21)23-15-5-3-4-10-18-15/h3-10,14H,2,11H2,1H3/p+1