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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(4-methoxyphenyl)benzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(4-methoxyphenyl)benzoate chloride CAS Name: 4-(4-methoxyphenyl)benzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(4-methoxyphenyl)benzoate chloride Traditional Name: 4-(4-methoxyphenyl)benzoic 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)C3=CC=C(C=C3)OC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3.ClH/c1-18-6-3-4-15-24(18)16-5-17-27-23(25)21-9-7-19(8-10-21)20-11-13-22(26-2)14-12-20;/h7-14,18H,3-6,15-17H2,1-2H3;1H