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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propan-2-yloxybenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-isopropoxybenzoate chloride CAS Name: 4-propan-2-yloxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propan-2-yloxybenzoate chloride Traditional Name: 4-isopropoxybenzoic 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:

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

Isomeric SMILES

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

InChI

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