2,3-dihydro-1-benzofuran-5-ylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methyl-4-piperidin-1-iumyl)methyl]ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Traditional Name: coumaran-5-ylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C25H36N2O2+2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C25H34N2O2/c1-26-13-9-21(10-14-26)18-27(15-11-20-3-6-24(28-2)7-4-20)19-22-5-8-25-23(17-22)12-16-29-25/h3-8,17,21H,9-16,18-19H2,1-2H3/p+2