[(2R)-3-[4-[(3-indazol-1-ylpropylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[4-[(3-indazol-1-ylpropylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[4-[(3-indazol-1-ylpropylammonio)methyl]-2-methoxy-phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[4-[[3-(1-indazolyl)propylammonio]methyl]-2-methoxyphenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[4-[(3-indazol-1-ylpropylazaniumyl)methyl]-2-methoxyphenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[4-[(3-indazol-1-ylpropylammonio)methyl]-2-methoxy-phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C25H38N4O3+2 MolecularWeight: 442.59422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=C(C=C1)C[NH2+]CCCN2C3=CC=CC=C3C=N2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=C(C=C1)C[NH2+]CCCN2C3=CC=CC=C3C=N2)OC)O

InChI

InChI=1S/C25H36N4O3/c1-19(2)28(3)17-22(30)18-32-24-11-10-20(14-25(24)31-4)15-26-12-7-13-29-23-9-6-5-8-21(23)16-27-29/h5-6,8-11,14,16,19,22,26,30H,7,12-13,15,17-18H2,1-4H3/p+2/t22-/m1/s1