2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethyl-ethanamine chloride

Systemtic Name: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethyl-ethanamine chloride Openeye Name: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethyl-ethanamine chloride CAS Name: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)-4-piperidin-1-iumyl]-N,N-diethylethanamine chloride IUPAC Name: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethylethanamine chloride Traditional Name: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]ethyl-diethyl-amine chloride Formula: C26H37ClN2O2 MolecularWeight: 445.03718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1CC[NH2+]C(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCN(CC)CCC1CC[NH2+]C(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C26H36N2O2.ClH/c1-3-28(4-2)18-16-21-15-17-27-24(19-21)25-20-29-26(30-25,22-11-7-5-8-12-22)23-13-9-6-10-14-23;/h5-14,21,24-25,27H,3-4,15-20H2,1-2H3;1H