(1,1-dimethyl-4-oxidanyl-piperidin-1-ium-4-yl)-phenyl-methanone; 4-methylbenzenesulfonate

Systemtic Name: (1,1-dimethyl-4-oxidanyl-piperidin-1-ium-4-yl)-phenyl-methanone; 4-methylbenzenesulfonate Openeye Name: (4-hydroxy-1,1-dimethyl-piperidin-1-ium-4-yl)-phenyl-methanone; 4-methylbenzenesulfonate CAS Name: (4-hydroxy-1,1-dimethyl-4-piperidin-1-iumyl)-phenylmethanone; 4-methylbenzenesulfonate IUPAC Name: (4-hydroxy-1,1-dimethylpiperidin-1-ium-4-yl)-phenylmethanone; 4-methylbenzenesulfonate Traditional Name: (4-hydroxy-1,1-dimethyl-piperidin-1-ium-4-yl)-phenyl-methanone tosylate Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCC(CC1)(C(=O)C2=CC=CC=C2)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCC(CC1)(C(=O)C2=CC=CC=C2)O)C

InChI

InChI=1S/C14H20NO2.C7H8O3S/c1-15(2)10-8-14(17,9-11-15)13(16)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,17H,8-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1