(5-methoxy-2-oxidanyl-phenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (5-methoxy-2-oxidanyl-phenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (2-hydroxy-5-methoxy-phenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (2-hydroxy-5-methoxyphenyl)methyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2-hydroxy-5-methoxyphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-hydroxy-5-methoxy-benzyl)-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C26H41N4O2+3 MolecularWeight: 441.62934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=C(C=CC(=C4)OC)O

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=C(C=CC(=C4)OC)O

InChI

InChI=1S/C26H38N4O2/c1-28-13-9-24(10-14-28)30-15-7-22(8-16-30)19-29(18-21-5-11-27-12-6-21)20-23-17-25(32-2)3-4-26(23)31/h3-6,11-12,17,22,24,31H,7-10,13-16,18-20H2,1-2H3/p+3