butyl 4-[butyl(2-piperidin-1-ium-1-ylethanoyl)amino]benzoate chloride

Systemtic Name: butyl 4-[butyl(2-piperidin-1-ium-1-ylethanoyl)amino]benzoate chloride Openeye Name: butyl 4-[butyl-(2-piperidin-1-ium-1-ylacetyl)amino]benzoate chloride CAS Name: 4-[butyl-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]benzoic acid butyl ester chloride IUPAC Name: butyl 4-[butyl-(2-piperidin-1-ium-1-ylacetyl)amino]benzoate chloride Traditional Name: 4-[butyl-(2-piperidin-1-ium-1-ylacetyl)amino]benzoic acid butyl ester chloride Formula: C22H35ClN2O3 MolecularWeight: 410.9779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O3.ClH/c1-3-5-16-24(21(25)18-23-14-8-7-9-15-23)20-12-10-19(11-13-20)22(26)27-17-6-4-2;/h10-13H,3-9,14-18H2,1-2H3;1H