methane; (2-oxidanyl-3-piperidin-1-ium-1-yl-propyl) 4-(propylamino)benzoate; chloride

Systemtic Name: methane; (2-oxidanyl-3-piperidin-1-ium-1-yl-propyl) 4-(propylamino)benzoate; chloride Openeye Name: (2-hydroxy-3-piperidin-1-ium-1-yl-propyl) 4-(propylamino)benzoate; methane; chloride CAS Name: methane; 4-(propylamino)benzoic acid [2-hydroxy-3-(1-piperidin-1-iumyl)propyl] ester; chloride IUPAC Name: (2-hydroxy-3-piperidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate; methane; chloride Traditional Name: methane; 4-(propylamino)benzoic acid (2-hydroxy-3-piperidin-1-ium-1-yl-propyl) ester; chloride Formula: C19H33ClN2O3 MolecularWeight: 372.92992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCCC2)O.[Cl-]

Isomeric SMILES

C.CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCCC2)O.[Cl-]

InChI

InChI=1S/C18H28N2O3.CH4.ClH/c1-2-10-19-16-8-6-15(7-9-16)18(22)23-14-17(21)13-20-11-4-3-5-12-20;;/h6-9,17,19,21H,2-5,10-14H2,1H3;1H4;1H