[(2R)-3-[2-methoxy-5-[[(1-methylimidazol-2-yl)methyl-propan-2-yl-azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[[(1-methylimidazol-2-yl)methyl-propan-2-yl-azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [3-[(2R)-2-hydroxy-3-[isopropyl(methyl)ammonio]propoxy]-4-methoxy-phenyl]methyl-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(1-methyl-2-imidazolyl)methyl-propan-2-ylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylazaniumyl]methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [3-[(2R)-2-hydroxy-3-[isopropyl(methyl)ammonio]propoxy]-4-methoxy-benzyl]-isopropyl-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C23H40N4O3+2 MolecularWeight: 420.5887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH+](CC2=NC=CN2C)C(C)C)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH+](CC2=NC=CN2C)C(C)C)OC)O

InChI

InChI=1S/C23H38N4O3/c1-17(2)26(6)14-20(28)16-30-22-12-19(8-9-21(22)29-7)13-27(18(3)4)15-23-24-10-11-25(23)5/h8-12,17-18,20,28H,13-16H2,1-7H3/p+2/t20-/m1/s1