3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride

Systemtic Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride Openeye Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride CAS Name: 4-phenoxybenzoic acid 3-(2,6-dimethyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride Traditional Name: 4-phenoxybenzoic acid 3-(2,6-dimethylpiperidin-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)OC3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1CCCC([NH+]1CCCOC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C23H29NO3.ClH/c1-18-8-6-9-19(2)24(18)16-7-17-26-23(25)20-12-14-22(15-13-20)27-21-10-4-3-5-11-21;/h3-5,10-15,18-19H,6-9,16-17H2,1-2H3;1H