N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate

Systemtic Name: N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Openeye Name: N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methyleneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate CAS Name: N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylideneamino]-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonate IUPAC Name: N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylideneamino]-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Traditional Name: N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methyleneamino]-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(C(O1)C)C=NNC(=O)C2=C[N+](=CC=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1CC=C(C(O1)C)C=NNC(=O)C2=C[N+](=CC=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H19N3O2.C7H8O3S/c1-11-6-7-13(12(2)20-11)9-16-17-15(19)14-5-4-8-18(3)10-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7-12H,6H2,1-3H3;2-5H,1H3,(H,8,9,10)