4-methylbenzenesulfonic acid; N1,N1,N2-trimethyl-N2-(phenylmethyl)cyclohexane-1,2-diamine

Systemtic Name: 4-methylbenzenesulfonic acid; N1,N1,N2-trimethyl-N2-(phenylmethyl)cyclohexane-1,2-diamine Openeye Name: N2-benzyl-N1,N1,N2-trimethyl-cyclohexane-1,2-diamine; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N1,N1,N2-trimethyl-N2-(phenylmethyl)cyclohexane-1,2-diamine IUPAC Name: 2-N-benzyl-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine; 4-methylbenzenesulfonic acid Traditional Name: benzyl-[2-(dimethylamino)cyclohexyl]-methyl-amine; tosylic acid Formula: C23H34N2O3S MolecularWeight: 418.59266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1CCCCC1N(C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1CCCCC1N(C)CC2=CC=CC=C2

InChI

InChI=1S/C16H26N2.C7H8O3S/c1-17(2)15-11-7-8-12-16(15)18(3)13-14-9-5-4-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3;2-5H,1H3,(H,8,9,10)