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

Systemtic Name: N-[(2R)-2-(dimethylamino)cyclohexyl]-N-methyl-4-nitro-benzamide; 4-methylbenzenesulfonic acid Openeye Name: N-[(2R)-2-(dimethylamino)cyclohexyl]-N-methyl-4-nitro-benzamide; 4-methylbenzenesulfonic acid CAS Name: N-[(2R)-2-(dimethylamino)cyclohexyl]-N-methyl-4-nitrobenzamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[(2R)-2-(dimethylamino)cyclohexyl]-N-methyl-4-nitrobenzamide; 4-methylbenzenesulfonic acid Traditional Name: N-[(2R)-2-(dimethylamino)cyclohexyl]-N-methyl-4-nitro-benzamide; tosylic acid Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1CCCCC1N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)[C@@H]1CCCCC1N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O3.C7H8O3S/c1-17(2)14-6-4-5-7-15(14)18(3)16(20)12-8-10-13(11-9-12)19(21)22;1-6-2-4-7(5-3-6)11(8,9)10/h8-11,14-15H,4-7H2,1-3H3;2-5H,1H3,(H,8,9,10)/t14-,15?;/m1./s1