[(2R)-3-[4-methoxy-2-[[(1-methylpyrazol-4-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2R)-3-[4-methoxy-2-[[(1-methylpyrazol-4-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2R)-2-hydroxy-3-[4-methoxy-2-[[(1-methylpyrazol-4-yl)methylammonio]methyl]phenoxy]propyl]-dimethyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[4-methoxy-2-[[(1-methyl-4-pyrazolyl)methylammonio]methyl]phenoxy]propyl]-dimethylammonium IUPAC Name: [(2R)-2-hydroxy-3-[4-methoxy-2-[[(1-methylpyrazol-4-yl)methylazaniumyl]methyl]phenoxy]propyl]-dimethylazanium Traditional Name: [(2R)-2-hydroxy-3-[4-methoxy-2-[[(1-methylpyrazol-4-yl)methylammonio]methyl]phenoxy]propyl]-dimethyl-ammonium Formula: C18H30N4O3+2 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]CC2=C(C=CC(=C2)OC)OCC(C[NH+](C)C)O

Isomeric SMILES

CN1C=C(C=N1)C[NH2+]CC2=C(C=CC(=C2)OC)OC[C@@H](C[NH+](C)C)O

InChI

InChI=1S/C18H28N4O3/c1-21(2)12-16(23)13-25-18-6-5-17(24-4)7-15(18)10-19-8-14-9-20-22(3)11-14/h5-7,9,11,16,19,23H,8,10,12-13H2,1-4H3/p+2/t16-/m1/s1