4-methylbenzenesulfonate; 1-methyl-N-(undec-10-enylideneamino)pyridin-1-ium-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-N-(undec-10-enylideneamino)pyridin-1-ium-3-carboxamide Openeye Name: 4-methylbenzenesulfonate; 1-methyl-N-(undec-10-enylideneamino)pyridin-1-ium-3-carboxamide CAS Name: 4-methylbenzenesulfonate; 1-methyl-N-(undec-10-enylideneamino)-3-pyridin-1-iumcarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-N-(undec-10-enylideneamino)pyridin-1-ium-3-carboxamide Traditional Name: 1-methyl-N-(undec-10-enylideneamino)pyridin-1-ium-3-carboxamide tosylate Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)NN=CCCCCCCCCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)NN=CCCCCCCCCC=C

InChI

InChI=1S/C18H27N3O.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-14-19-20-18(22)17-13-12-15-21(2)16-17;1-6-2-4-7(5-3-6)11(8,9)10/h3,12-16H,1,4-11H2,2H3;2-5H,1H3,(H,8,9,10)