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4-methylbenzenesulfonate; 1-methyl-N-(2-methylpent-2-enylideneamino)pyridin-1-ium-3-carboxamide

4-methylbenzenesulfonate; 1-methyl-N-(2-methylpent-2-enylideneamino)pyridin-1-ium-3-carboxamide

Systemtic Name:4-methylbenzenesulfonate; 1-methyl-N-(2-methylpent-2-enylideneamino)pyridin-1-ium-3-carboxamide
Openeye Name:4-methylbenzenesulfonate; 1-methyl-N-(2-methylpent-2-enylideneamino)pyridin-1-ium-3-carboxamide
CAS Name:4-methylbenzenesulfonate; 1-methyl-N-(2-methylpent-2-enylideneamino)-3-pyridin-1-iumcarboxamide
IUPAC Name:4-methylbenzenesulfonate; 1-methyl-N-(2-methylpent-2-enylideneamino)pyridin-1-ium-3-carboxamide
Traditional Name:1-methyl-N-(2-methylpent-2-enylideneamino)pyridin-1-ium-3-carboxamide tosylate
Formula: C20H25N3O4S
MolecularWeight: 403.4952
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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C=NNC(=O)C1=C[N+](=CC=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCC=C(C)C=NNC(=O)C1=C[N+](=CC=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C13H17N3O.C7H8O3S/c1-4-6-11(2)9-14-15-13(17)12-7-5-8-16(3)10-12;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)


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