3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate; sulfuric acid

Systemtic Name: 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate; sulfuric acid Openeye Name: 3-(2-methyl-1-piperidyl)propyl 4-(cyclohexoxy)benzoate; sulfuric acid CAS Name: 4-cyclohexyloxybenzoic acid 3-(2-methyl-1-piperidinyl)propyl ester; sulfuric acid IUPAC Name: 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate; sulfuric acid Traditional Name: 4-(cyclohexoxy)benzoic acid 3-(2-methylpiperidino)propyl ester; sulfuric acid Formula: C44H68N2O10S MolecularWeight: 817.08312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H33NO3.H2O4S/c2*1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20;1-5(2,3)4/h2*11-14,18,20H,2-10,15-17H2,1H3;(H2,1,2,3,4)