1-(2-methylpiperidin-1-ium-1-yl)propan-2-yl 4-butoxybenzoate chloride

Systemtic Name: 1-(2-methylpiperidin-1-ium-1-yl)propan-2-yl 4-butoxybenzoate chloride Openeye Name: [1-methyl-2-(2-methylpiperidin-1-ium-1-yl)ethyl] 4-butoxybenzoate chloride CAS Name: 4-butoxybenzoic acid 1-(2-methyl-1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-(2-methylpiperidin-1-ium-1-yl)propan-2-yl 4-butoxybenzoate chloride Traditional Name: 4-butoxybenzoic acid [1-methyl-2-(2-methylpiperidin-1-ium-1-yl)ethyl] ester chloride Formula: C20H32ClNO3 MolecularWeight: 369.92598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C[NH+]2CCCCC2C.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C[NH+]2CCCCC2C.[Cl-]

InChI

InChI=1S/C20H31NO3.ClH/c1-4-5-14-23-19-11-9-18(10-12-19)20(22)24-17(3)15-21-13-7-6-8-16(21)2;/h9-12,16-17H,4-8,13-15H2,1-3H3;1H