[2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)oxan-4-yl] benzoate chloride

Systemtic Name: [2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)oxan-4-yl] benzoate chloride Openeye Name: [2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)tetrahydropyran-4-yl] benzoate chloride CAS Name: benzoic acid [2,2-dimethyl-5-(1-piperidin-1-iumylmethyl)-4-oxanyl] ester chloride IUPAC Name: [2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)oxan-4-yl] benzoate chloride Traditional Name: benzoic acid [2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)tetrahydropyran-4-yl] ester chloride Formula: C20H30ClNO3 MolecularWeight: 367.9101

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(CO1)C[NH+]2CCCCC2)OC(=O)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1(CC(C(CO1)C[NH+]2CCCCC2)OC(=O)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C20H29NO3.ClH/c1-20(2)13-18(24-19(22)16-9-5-3-6-10-16)17(15-23-20)14-21-11-7-4-8-12-21;/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3;1H