N-[2-(dimethylamino)cyclohexyl]-4-ethanoyl-N-methyl-benzamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[2-(dimethylamino)cyclohexyl]-4-ethanoyl-N-methyl-benzamide; 4-methylbenzenesulfonic acid Openeye Name: 4-acetyl-N-[2-(dimethylamino)cyclohexyl]-N-methyl-benzamide; 4-methylbenzenesulfonic acid CAS Name: 4-acetyl-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-acetyl-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide; 4-methylbenzenesulfonic acid Traditional Name: 4-acetyl-N-[2-(dimethylamino)cyclohexyl]-N-methyl-benzamide; tosylic acid Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1=CC=C(C=C1)C(=O)N(C)C2CCCCC2N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1=CC=C(C=C1)C(=O)N(C)C2CCCCC2N(C)C

InChI

InChI=1S/C18H26N2O2.C7H8O3S/c1-13(21)14-9-11-15(12-10-14)18(22)20(4)17-8-6-5-7-16(17)19(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h9-12,16-17H,5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)