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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenylmethoxybenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-benzyloxybenzoate chloride CAS Name: 4-phenylmethoxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenylmethoxybenzoate chloride Traditional Name: 4-benzoxybenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H29NO3.ClH/c1-19-8-5-6-15-24(19)16-7-17-26-23(25)21-11-13-22(14-12-21)27-18-20-9-3-2-4-10-20;/h2-4,9-14,19H,5-8,15-18H2,1H3;1H