N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H32N2O4/c1-26-12-9-20(10-13-26)18-27(14-11-19-3-6-22(29-2)7-4-19)25(28)21-5-8-23-24(17-21)31-16-15-30-23/h3-8,17,20H,9-16,18H2,1-2H3/p+1