4-methylbenzenesulfonate; 1-methyl-1-(2-phenylcyclohexyl)pyrrolidin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-1-(2-phenylcyclohexyl)pyrrolidin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methyl-1-(2-phenylcyclohexyl)pyrrolidin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methyl-1-(2-phenylcyclohexyl)pyrrolidin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-1-(2-phenylcyclohexyl)pyrrolidin-1-ium Traditional Name: 1-methyl-1-(2-phenylcyclohexyl)pyrrolidin-1-ium tosylate Formula: C24H33NO3S MolecularWeight: 415.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCCC1)C2CCCCC2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCCC1)C2CCCCC2C3=CC=CC=C3

InChI

InChI=1S/C17H26N.C7H8O3S/c1-18(13-7-8-14-18)17-12-6-5-11-16(17)15-9-3-2-4-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,9-10,16-17H,5-8,11-14H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1