(4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride

Systemtic Name: (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride Openeye Name: (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid [4-(1-piperidin-1-iumyl)cyclohexyl] ester chloride IUPAC Name: (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid (4-piperidin-1-ium-1-ylcyclohexyl) ester chloride Formula: C21H32ClNO5 MolecularWeight: 413.93548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C21H31NO5.ClH/c1-24-18-13-15(14-19(25-2)20(18)26-3)21(23)27-17-9-7-16(8-10-17)22-11-5-4-6-12-22;/h13-14,16-17H,4-12H2,1-3H3;1H