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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-methylbenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-methylbenzoate chloride CAS Name: 4-methylbenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-methylbenzoate chloride Traditional Name: 4-methylbenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2.ClH/c1-14-7-9-16(10-8-14)17(19)20-13-5-12-18-11-4-3-6-15(18)2;/h7-10,15H,3-6,11-13H2,1-2H3;1H