2-(1-oxidanylpyridin-1-ium-4-yl)sulfonylethyl N-[4-(diethylamino)-2-methyl-phenyl]carbamate

Systemtic Name: 2-(1-oxidanylpyridin-1-ium-4-yl)sulfonylethyl N-[4-(diethylamino)-2-methyl-phenyl]carbamate Openeye Name: 2-(1-hydroxypyridin-1-ium-4-yl)sulfonylethyl N-[4-(diethylamino)-2-methyl-phenyl]carbamate CAS Name: N-[4-(diethylamino)-2-methylphenyl]carbamic acid 2-[(1-hydroxy-4-pyridin-1-iumyl)sulfonyl]ethyl ester IUPAC Name: 2-(1-hydroxypyridin-1-ium-4-yl)sulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]carbamic acid 2-(1-hydroxypyridin-1-ium-4-yl)sulfonylethyl ester Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=O)OCCS(=O)(=O)C2=CC=[N+](C=C2)O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=O)OCCS(=O)(=O)C2=CC=[N+](C=C2)O)C

InChI

InChI=1S/C19H25N3O5S/c1-4-21(5-2)16-6-7-18(15(3)14-16)20-19(23)27-12-13-28(25,26)17-8-10-22(24)11-9-17/h6-11,14H,4-5,12-13H2,1-3H3,(H-,20,23,24)/p+1