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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-heptoxybenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-heptoxybenzoate chloride CAS Name: 4-heptoxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-heptoxybenzoate chloride Traditional Name: 4-heptoxybenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C23H38ClNO3 MolecularWeight: 412.00572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

InChI

InChI=1S/C23H37NO3.ClH/c1-3-4-5-6-9-18-26-22-14-12-21(13-15-22)23(25)27-19-10-17-24-16-8-7-11-20(24)2;/h12-15,20H,3-11,16-19H2,1-2H3;1H