(1-methylpiperidin-1-ium-4-yl)methyl 2-oxidanyl-2-phenyl-pent-3-ynoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)methyl 2-oxidanyl-2-phenyl-pent-3-ynoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl)methyl 2-hydroxy-2-phenyl-pent-3-ynoate chloride CAS Name: 2-hydroxy-2-phenyl-3-pentynoic acid (1-methyl-4-piperidin-1-iumyl)methyl ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate chloride Traditional Name: 2-hydroxy-2-phenyl-pent-3-ynoic acid (1-methylpiperidin-1-ium-4-yl)methyl ester chloride Formula: C18H24ClNO3 MolecularWeight: 337.84106

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C1=CC=CC=C1)(C(=O)OCC2CC[NH+](CC2)C)O.[Cl-]

Isomeric SMILES

CC#CC(C1=CC=CC=C1)(C(=O)OCC2CC[NH+](CC2)C)O.[Cl-]

InChI

InChI=1S/C18H23NO3.ClH/c1-3-11-18(21,16-7-5-4-6-8-16)17(20)22-14-15-9-12-19(2)13-10-15;/h4-8,15,21H,9-10,12-14H2,1-2H3;1H