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

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-[[1-(1-methyl-4-piperidinyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: coumaran-5-ylmethyl-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C27H40N4O+2 MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C27H38N4O/c1-29-13-8-26(9-14-29)31-15-6-23(7-16-31)20-30(19-22-4-11-28-12-5-22)21-24-2-3-27-25(18-24)10-17-32-27/h2-5,11-12,18,23,26H,6-10,13-17,19-21H2,1H3/p+2