4-methylbenzenesulfonate; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium

Systemtic Name: 4-methylbenzenesulfonate; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium Openeye Name: 4-methylbenzenesulfonate; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium CAS Name: 4-methylbenzenesulfonate; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium IUPAC Name: 4-methylbenzenesulfonate; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium Traditional Name: 2,3,4,6,7,8,9,10-octahydro-1H-pyrimid[1,2-a]azepin-5-ium tosylate Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC2=[N+](CC1)CCCN2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC2=[N+](CC1)CCCN2

InChI

InChI=1S/C9H16N2.C7H8O3S/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H2;2-5H,1H3,(H,8,9,10)