3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl 4-cyclohexyloxybenzoate chloride

Systemtic Name: 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl 4-cyclohexyloxybenzoate chloride Openeye Name: 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl 4-(cyclohexoxy)benzoate chloride CAS Name: 4-cyclohexyloxybenzoic acid 3-(1,2-dimethyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl 4-cyclohexyloxybenzoate chloride Traditional Name: 4-(cyclohexoxy)benzoic acid 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C23H36ClNO3 MolecularWeight: 409.98984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1(C)CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3.[Cl-]

Isomeric SMILES

CC1CCCC[N+]1(C)CCCOC(=O)C2=CC=C(C=C2)OC3CCCCC3.[Cl-]

InChI

InChI=1S/C23H36NO3.ClH/c1-19-9-6-7-16-24(19,2)17-8-18-26-23(25)20-12-14-22(15-13-20)27-21-10-4-3-5-11-21;/h12-15,19,21H,3-11,16-18H2,1-2H3;1H/q+1;/p-1