N,N-diethyl-1-methyl-pyridin-1-ium-3-carboxamide; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate

Systemtic Name: N,N-diethyl-1-methyl-pyridin-1-ium-3-carboxamide; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate Openeye Name: N,N-diethyl-1-methyl-pyridin-1-ium-3-carboxamide; 4,7,7-trimethyl-3-oxo-norbornane-2-sulfonate CAS Name: N,N-diethyl-1-methyl-3-pyridin-1-iumcarboxamide; 4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonate IUPAC Name: N,N-diethyl-1-methylpyridin-1-ium-3-carboxamide; 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonate Traditional Name: N,N-diethyl-1-methyl-pyridin-1-ium-3-carboxamide; 3-keto-4,7,7-trimethyl-norbornane-2-sulfonate Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C

InChI

InChI=1S/C11H17N2O.C10H16O4S/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10;1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h6-9H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H,12,13,14)/q+1;/p-1