(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl) 4-(butylamino)benzoate chloride

Systemtic Name: (2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl) 4-(butylamino)benzoate chloride Openeye Name: (2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl) 4-(butylamino)benzoate chloride CAS Name: 4-(butylamino)benzoic acid [2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl] ester chloride IUPAC Name: (2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(butylamino)benzoate chloride Traditional Name: 4-(butylamino)benzoic acid (2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl) ester chloride Formula: C18H29ClN2O3 MolecularWeight: 356.88746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-]

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-]

InChI

InChI=1S/C18H28N2O3.ClH/c1-2-3-10-19-16-8-6-15(7-9-16)18(22)23-14-17(21)13-20-11-4-5-12-20;/h6-9,17,19,21H,2-5,10-14H2,1H3;1H