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

Systemtic Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(5-methoxy-2-oxidanyl-phenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (2-hydroxy-5-methoxy-phenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (2-hydroxy-5-methoxyphenyl)methyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2-hydroxy-5-methoxyphenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-hydroxy-5-methoxy-benzyl)-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C23H35N3O3+2 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=C(C=CC(=C3)OC)O

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C23H33N3O3/c1-28-14-13-25-11-7-20(8-12-25)17-26(16-19-5-9-24-10-6-19)18-21-15-22(29-2)3-4-23(21)27/h3-6,9-10,15,20,27H,7-8,11-14,16-18H2,1-2H3/p+2