(1,1-dimethyl-4-phenyl-piperidin-1-ium-3-yl)methanol; 4-methylbenzenesulfonate

Systemtic Name: (1,1-dimethyl-4-phenyl-piperidin-1-ium-3-yl)methanol; 4-methylbenzenesulfonate Openeye Name: (1,1-dimethyl-4-phenyl-piperidin-1-ium-3-yl)methanol; 4-methylbenzenesulfonate CAS Name: (1,1-dimethyl-4-phenyl-3-piperidin-1-iumyl)methanol; 4-methylbenzenesulfonate IUPAC Name: (1,1-dimethyl-4-phenylpiperidin-1-ium-3-yl)methanol; 4-methylbenzenesulfonate Traditional Name: (1,1-dimethyl-4-phenyl-piperidin-1-ium-3-yl)methanol tosylate Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22NO.C7H8O3S/c1-15(2)9-8-14(13(10-15)11-16)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,13-14,16H,8-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1