1,1-dimethylazepan-1-ium-4-ol; 4-methylbenzenesulfonate

Systemtic Name: 1,1-dimethylazepan-1-ium-4-ol; 4-methylbenzenesulfonate Openeye Name: 1,1-dimethylazepan-1-ium-4-ol; 4-methylbenzenesulfonate CAS Name: 1,1-dimethyl-4-azepan-1-iumol; 4-methylbenzenesulfonate IUPAC Name: 1,1-dimethylazepan-1-ium-4-ol; 4-methylbenzenesulfonate Traditional Name: 1,1-dimethylazepan-1-ium-4-ol tosylate Formula: C15H25NO4S MolecularWeight: 315.4283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18NO.C7H8O3S/c1-9(2)6-3-4-8(10)5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h8,10H,3-7H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1