2-[2,2-bis(4-methoxyphenyl)-1,3-dioxolan-4-yl]piperidin-1-ium chloride

Systemtic Name: 2-[2,2-bis(4-methoxyphenyl)-1,3-dioxolan-4-yl]piperidin-1-ium chloride Openeye Name: 2-[2,2-bis(4-methoxyphenyl)-1,3-dioxolan-4-yl]piperidin-1-ium chloride CAS Name: 2-[2,2-bis(4-methoxyphenyl)-1,3-dioxolan-4-yl]piperidin-1-ium chloride IUPAC Name: 2-[2,2-bis(4-methoxyphenyl)-1,3-dioxolan-4-yl]piperidin-1-ium chloride Traditional Name: 2-[2,2-bis(4-methoxyphenyl)-1,3-dioxolan-4-yl]piperidin-1-ium chloride Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(OCC(O2)C3CCCC[NH2+]3)C4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C2(OCC(O2)C3CCCC[NH2+]3)C4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C22H27NO4.ClH/c1-24-18-10-6-16(7-11-18)22(17-8-12-19(25-2)13-9-17)26-15-21(27-22)20-5-3-4-14-23-20;/h6-13,20-21,23H,3-5,14-15H2,1-2H3;1H