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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC2=CN=CC=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC2=CN=CC=C2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H33N3O3/c1-28-22-8-7-20(16-25-11-9-19-6-5-10-24-15-19)14-23(22)29-18-21(27)17-26-12-3-2-4-13-26/h5-8,10,14-15,21,25,27H,2-4,9,11-13,16-18H2,1H3/p+2/t21-/m1/s1