N-(2,6-diethylphenyl)-4-(2-ethylsulfanylethoxy)-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-4-(2-ethylsulfanylethoxy)-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-4-(2-ethylsulfanylethoxy)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-4-[2-(ethylthio)ethoxy]-2,6-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-diethylphenyl)-4-(2-ethylsulfanylethoxy)-2,6-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-4-[2-(ethylthio)ethoxy]-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCCSCC)C)[O-])C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCCSCC)C)[O-])C

InChI

InChI=1S/C22H30N2O3S/c1-6-17-10-9-11-18(7-2)21(17)23-22(25)20-16(5)24(26)15(4)14-19(20)27-12-13-28-8-3/h9-11,14H,6-8,12-13H2,1-5H3,(H,23,25)