1-piperidin-1-ium-1-ylpropan-2-yl 4-ethoxybenzoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 4-ethoxybenzoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 4-ethoxybenzoate chloride CAS Name: 4-ethoxybenzoic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 4-ethoxybenzoate chloride Traditional Name: 4-ethoxybenzoic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C17H26ClNO3 MolecularWeight: 327.84624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC(C)C[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC(C)C[NH+]2CCCCC2.[Cl-]

InChI

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