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

Systemtic Name: N-(2-ethylhexylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Openeye Name: N-(2-ethylhexylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate CAS Name: N-(2-ethylhexylideneamino)-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonate IUPAC Name: N-(2-ethylhexylideneamino)-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Traditional Name: N-(2-ethylhexylideneamino)-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O.C7H8O3S/c1-4-6-8-13(5-2)11-16-17-15(19)14-9-7-10-18(3)12-14;1-6-2-4-7(5-3-6)11(8,9)10/h7,9-13H,4-6,8H2,1-3H3;2-5H,1H3,(H,8,9,10)