3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenethyloxybenzoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenethyloxybenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenethyloxybenzoate chloride CAS Name: 4-phenethyloxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenethyloxybenzoate chloride Traditional Name: 4-phenethyloxybenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C24H32ClNO3 MolecularWeight: 417.96878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C24H31NO3.ClH/c1-20-8-5-6-16-25(20)17-7-18-28-24(26)22-11-13-23(14-12-22)27-19-15-21-9-3-2-4-10-21;/h2-4,9-14,20H,5-8,15-19H2,1H3;1H