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

Systemtic Name: 3-(3-methylpiperidin-1-ium-1-yl)butyl 4-butoxybenzoate chloride Openeye Name: 3-(3-methylpiperidin-1-ium-1-yl)butyl 4-butoxybenzoate chloride CAS Name: 4-butoxybenzoic acid 3-(3-methyl-1-piperidin-1-iumyl)butyl ester chloride IUPAC Name: 3-(3-methylpiperidin-1-ium-1-yl)butyl 4-butoxybenzoate chloride Traditional Name: 4-butoxybenzoic acid 3-(3-methylpiperidin-1-ium-1-yl)butyl ester chloride Formula: C21H34ClNO3 MolecularWeight: 383.95256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO3.ClH/c1-4-5-14-24-20-10-8-19(9-11-20)21(23)25-15-12-18(3)22-13-6-7-17(2)16-22;/h8-11,17-18H,4-7,12-16H2,1-3H3;1H