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

Systemtic Name: [(2R)-3-[2-methoxy-4-[[(4-oxidanylidene-3H-phthalazin-1-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[(4-oxo-3H-phthalazin-1-yl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[(4-oxo-3H-phthalazin-1-yl)methylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[(4-oxo-3H-phthalazin-1-yl)methylazaniumyl]methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[4-[[(4-keto-3H-phthalazin-1-yl)methylammonio]methyl]-2-methoxy-phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C24H34N4O4+2 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=C(C=C1)C[NH2+]CC2=NNC(=O)C3=CC=CC=C32)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=C(C=C1)C[NH2+]CC2=NNC(=O)C3=CC=CC=C32)OC)O

InChI

InChI=1S/C24H32N4O4/c1-16(2)28(3)14-18(29)15-32-22-10-9-17(11-23(22)31-4)12-25-13-21-19-7-5-6-8-20(19)24(30)27-26-21/h5-11,16,18,25,29H,12-15H2,1-4H3,(H,27,30)/p+2/t18-/m1/s1