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

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-4-yl)sulfonylethyl N-[4-(diethylamino)-2-methyl-phenyl]carbamate Openeye Name: 2-(1-oxidopyridin-1-ium-4-yl)sulfonylethyl N-[4-(diethylamino)-2-methyl-phenyl]carbamate CAS Name: N-[4-(diethylamino)-2-methylphenyl]carbamic acid 2-[(1-oxido-4-pyridin-1-iumyl)sulfonyl]ethyl ester IUPAC Name: 2-(1-oxidopyridin-1-ium-4-yl)sulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]carbamic acid 2-(1-oxidopyridin-1-ium-4-yl)sulfonylethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

Click to see the large picture

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)