4-methylbenzenesulfonate; 1-[(4-methylphenyl)-phenyl-methyl]piperidine

Systemtic Name: 4-methylbenzenesulfonate; 1-[(4-methylphenyl)-phenyl-methyl]piperidine Openeye Name: 4-methylbenzenesulfonate; 1-[phenyl(p-tolyl)methyl]piperidine CAS Name: 4-methylbenzenesulfonate; 1-[(4-methylphenyl)-phenylmethyl]piperidine IUPAC Name: 4-methylbenzenesulfonate; 1-[(4-methylphenyl)-phenylmethyl]piperidine Traditional Name: 1-[phenyl(p-tolyl)methyl]piperidine tosylate Formula: C26H30NO3S- MolecularWeight: 436.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCCCC3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCCCC3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H23N.C7H8O3S/c1-16-10-12-18(13-11-16)19(17-8-4-2-5-9-17)20-14-6-3-7-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,8-13,19H,3,6-7,14-15H2,1H3;2-5H,1H3,(H,8,9,10)/p-1