3-(3-methylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride

Systemtic Name: 3-(3-methylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride Openeye Name: 3-(3-methylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride CAS Name: 4-butoxybenzoic acid 3-(3-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(3-methylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride Traditional Name: 4-butoxybenzoic acid 3-(3-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C20H32ClNO3 MolecularWeight: 369.92598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCC(C2)C.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCC(C2)C.[Cl-]

InChI

InChI=1S/C20H31NO3.ClH/c1-3-4-14-23-19-10-8-18(9-11-19)20(22)24-15-6-13-21-12-5-7-17(2)16-21;/h8-11,17H,3-7,12-16H2,1-2H3;1H