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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propoxybenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propoxybenzoate chloride CAS Name: 4-propoxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propoxybenzoate chloride Traditional Name: 4-propoxybenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C19H30ClNO3 MolecularWeight: 355.8994

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

InChI

InChI=1S/C19H29NO3.ClH/c1-3-14-22-18-10-8-17(9-11-18)19(21)23-15-6-13-20-12-5-4-7-16(20)2;/h8-11,16H,3-7,12-15H2,1-2H3;1H