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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propan-2-ylbenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-isopropylbenzoate chloride CAS Name: 4-propan-2-ylbenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-propan-2-ylbenzoate chloride Traditional Name: 4-isopropylbenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C19H30ClNO2 MolecularWeight: 339.9

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO2.ClH/c1-15(2)17-8-10-18(11-9-17)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