ethyl 5-azanyl-2-(3-piperidin-1-ium-1-ylpropoxy)benzoate chloride

Systemtic Name: ethyl 5-azanyl-2-(3-piperidin-1-ium-1-ylpropoxy)benzoate chloride Openeye Name: ethyl 5-amino-2-(3-piperidin-1-ium-1-ylpropoxy)benzoate chloride CAS Name: 5-amino-2-[3-(1-piperidin-1-iumyl)propoxy]benzoic acid ethyl ester chloride IUPAC Name: ethyl 5-amino-2-(3-piperidin-1-ium-1-ylpropoxy)benzoate chloride Traditional Name: 5-amino-2-(3-piperidin-1-ium-1-ylpropoxy)benzoic acid ethyl ester chloride Formula: C17H27ClN2O3 MolecularWeight: 342.86088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N)OCCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N)OCCC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C17H26N2O3.ClH/c1-2-21-17(20)15-13-14(18)7-8-16(15)22-12-6-11-19-9-4-3-5-10-19;/h7-8,13H,2-6,9-12,18H2,1H3;1H