1-ethyl-1-methyl-4-phenyl-piperidin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-1-methyl-4-phenyl-piperidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-1-methyl-4-phenyl-piperidin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-1-methyl-4-phenylpiperidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-1-methyl-4-phenylpiperidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-1-methyl-4-phenyl-piperidin-1-ium tosylate Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N.C7H8O3S/c1-3-15(2)11-9-14(10-12-15)13-7-5-4-6-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,14H,3,9-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1