3-(2-methylpiperidin-1-ium-1-yl)propyl 4-hexan-2-yloxybenzoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-hexan-2-yloxybenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(1-methylpentoxy)benzoate chloride CAS Name: 4-hexan-2-yloxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-hexan-2-yloxybenzoate chloride Traditional Name: 4-(1-methylpentoxy)benzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C22H36ClNO3 MolecularWeight: 397.97914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

Isomeric SMILES

CCCCC(C)OC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

InChI

InChI=1S/C22H35NO3.ClH/c1-4-5-10-19(3)26-21-13-11-20(12-14-21)22(24)25-17-8-16-23-15-7-6-9-18(23)2;/h11-14,18-19H,4-10,15-17H2,1-3H3;1H