[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-(3-pyridylmethyl)ammonium Formula: C23H35N3O3+2 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O)CC3=CN=CC=C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCC2)O)CC3=CN=CC=C3

InChI

InChI=1S/C23H33N3O3/c1-25(16-20-7-6-10-24-14-20)15-19-8-9-22(28-2)23(13-19)29-18-21(27)17-26-11-4-3-5-12-26/h6-10,13-14,21,27H,3-5,11-12,15-18H2,1-2H3/p+2/t21-/m1/s1