3-(2-methylpiperidin-1-ium-1-yl)propyl 2-phenylbutanoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-phenylbutanoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-phenylbutanoate chloride CAS Name: 2-phenylbutanoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-phenylbutanoate chloride Traditional Name: 2-phenylbutyric acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C19H30ClNO2 MolecularWeight: 339.9

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

InChI

InChI=1S/C19H29NO2.ClH/c1-3-18(17-11-5-4-6-12-17)19(21)22-15-9-14-20-13-8-7-10-16(20)2;/h4-6,11-12,16,18H,3,7-10,13-15H2,1-2H3;1H