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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenylbenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenylbenzoate chloride CAS Name: 4-phenylbenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenylbenzoate chloride Traditional Name: 4-phenylbenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2.ClH/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)21-13-11-20(12-14-21)19-9-3-2-4-10-19;/h2-4,9-14,18H,5-8,15-17H2,1H3;1H