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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-methoxybenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-methoxybenzoate chloride CAS Name: 4-methoxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-methoxybenzoate chloride Traditional Name: 4-methoxybenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C17H26ClNO3 MolecularWeight: 327.84624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OC.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OC.[Cl-]

InChI

InChI=1S/C17H25NO3.ClH/c1-14-6-3-4-11-18(14)12-5-13-21-17(19)15-7-9-16(20-2)10-8-15;/h7-10,14H,3-6,11-13H2,1-2H3;1H