methyl hydrogen sulfate; 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate

Systemtic Name: methyl hydrogen sulfate; 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate Openeye Name: methyl hydrogen sulfate; 3-(2-methyl-1-piperidyl)propyl 4-(cyclohexoxy)benzoate CAS Name: 4-cyclohexyloxybenzoic acid 3-(2-methyl-1-piperidinyl)propyl ester; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate Traditional Name: 4-(cyclohexoxy)benzoic acid 3-(2-methylpiperidino)propyl ester; sulfuric acid methyl ester Formula: C23H37NO7S MolecularWeight: 471.60738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3.COS(=O)(=O)O

Isomeric SMILES

CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3.COS(=O)(=O)O

InChI

InChI=1S/C22H33NO3.CH4O4S/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20;1-5-6(2,3)4/h11-14,18,20H,2-10,15-17H2,1H3;1H3,(H,2,3,4)