3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butoxy-2-oxidanyl-benzoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butoxy-2-oxidanyl-benzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butoxy-2-hydroxy-benzoate chloride CAS Name: 4-butoxy-2-hydroxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butoxy-2-hydroxybenzoate chloride Traditional Name: 4-butoxy-2-hydroxy-benzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C20H32ClNO4 MolecularWeight: 385.92538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C)O.[Cl-]

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C)O.[Cl-]

InChI

InChI=1S/C20H31NO4.ClH/c1-3-4-13-24-17-9-10-18(19(22)15-17)20(23)25-14-7-12-21-11-6-5-8-16(21)2;/h9-10,15-16,22H,3-8,11-14H2,1-2H3;1H