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

Systemtic Name: 4-(3-methylpiperidin-1-ium-1-yl)butan-2-yl benzoate chloride Openeye Name: [1-methyl-3-(3-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride CAS Name: benzoic acid 4-(3-methyl-1-piperidin-1-iumyl)butan-2-yl ester chloride IUPAC Name: 4-(3-methylpiperidin-1-ium-1-yl)butan-2-yl benzoate chloride Traditional Name: benzoic acid [1-methyl-3-(3-methylpiperidin-1-ium-1-yl)propyl] ester chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(C)OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1CCC[NH+](C1)CCC(C)OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H25NO2.ClH/c1-14-7-6-11-18(13-14)12-10-15(2)20-17(19)16-8-4-3-5-9-16;/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3;1H