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

Systemtic Name: 1-(4-methylphenyl)-3-pyridin-1-ium-2-ylsulfanyl-pyrrolidine-2,5-dione Openeye Name: 1-(p-tolyl)-3-pyridin-1-ium-2-ylsulfanyl-pyrrolidine-2,5-dione CAS Name: 1-(4-methylphenyl)-3-(2-pyridin-1-iumylthio)pyrrolidine-2,5-dione IUPAC Name: 1-(4-methylphenyl)-3-pyridin-1-ium-2-ylsulfanylpyrrolidine-2,5-dione Traditional Name: 1-(p-tolyl)-3-(pyridin-1-ium-2-ylthio)pyrrolidine-2,5-quinone Formula: C16H15N2O2S+ MolecularWeight: 299.3675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=[NH+]3

InChI

InChI=1S/C16H14N2O2S/c1-11-5-7-12(8-6-11)18-15(19)10-13(16(18)20)21-14-4-2-3-9-17-14/h2-9,13H,10H2,1H3/p+1