[(2R)-3-[2-methoxy-5-[[(5-phenyl-1H-pyrazol-4-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[[(5-phenyl-1H-pyrazol-4-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(5-phenyl-1H-pyrazol-4-yl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(5-phenyl-1H-pyrazol-4-yl)methylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(5-phenyl-1H-pyrazol-4-yl)methylazaniumyl]methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(5-phenyl-1H-pyrazol-4-yl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C25H36N4O3+2 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH2+]CC2=C(NN=C2)C3=CC=CC=C3)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH2+]CC2=C(NN=C2)C3=CC=CC=C3)OC)O

InChI

InChI=1S/C25H34N4O3/c1-18(2)29(3)16-22(30)17-32-24-12-19(10-11-23(24)31-4)13-26-14-21-15-27-28-25(21)20-8-6-5-7-9-20/h5-12,15,18,22,26,30H,13-14,16-17H2,1-4H3,(H,27,28)/p+2/t22-/m1/s1