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

Systemtic Name: (2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl) 4-(propylamino)benzoate chloride Openeye Name: (2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl) 4-(propylamino)benzoate chloride CAS Name: 4-(propylamino)benzoic acid [2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl] ester chloride IUPAC Name: (2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate chloride Traditional Name: 4-(propylamino)benzoic acid (2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl) ester chloride Formula: C17H27ClN2O3 MolecularWeight: 342.86088

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-]

Isomeric SMILES

CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-]

InChI

InChI=1S/C17H26N2O3.ClH/c1-2-9-18-15-7-5-14(6-8-15)17(21)22-13-16(20)12-19-10-3-4-11-19;/h5-8,16,18,20H,2-4,9-13H2,1H3;1H