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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-pentoxybenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-pentoxybenzoate chloride CAS Name: 4-pentoxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-pentoxybenzoate chloride Traditional Name: 4-amoxybenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C21H34ClNO3 MolecularWeight: 383.95256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

InChI

InChI=1S/C21H33NO3.ClH/c1-3-4-7-16-24-20-12-10-19(11-13-20)21(23)25-17-8-15-22-14-6-5-9-18(22)2;/h10-13,18H,3-9,14-17H2,1-2H3;1H