4-cyclohexyloxybenzoate; 2-methyl-1-propyl-piperidine; sulfate

Systemtic Name: 4-cyclohexyloxybenzoate; 2-methyl-1-propyl-piperidine; sulfate Openeye Name: 4-(cyclohexoxy)benzoate; 2-methyl-1-propyl-piperidine; sulfate CAS Name: 4-cyclohexyloxybenzoate; 2-methyl-1-propylpiperidine; sulfate IUPAC Name: 4-cyclohexyloxybenzoate; 2-methyl-1-propylpiperidine; sulfate Traditional Name: 4-(cyclohexoxy)benzoate; 2-methyl-1-propyl-piperidine; sulfate Formula: C22H33NO7S-3 MolecularWeight: 455.56492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC[CH2].C1CCC(CC1)OC2=CC=C(C=C2)C(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1CCCCN1CC[CH2].C1CCC(CC1)OC2=CC=C(C=C2)C(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C13H16O3.C9H18N.H2O4S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;1-3-7-10-8-5-4-6-9(10)2;1-5(2,3)4/h6-9,11H,1-5H2,(H,14,15);9H,1,3-8H2,2H3;(H2,1,2,3,4)/p-3