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

Systemtic Name: [(2R)-3-[2-methoxy-4-[(2-phenoxyethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[(2-phenoxyethylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[(2-phenoxyethylammonio)methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[(2-phenoxyethylazaniumyl)methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[(2-phenoxyethylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C23H36N2O4+2 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=C(C=C1)C[NH2+]CCOC2=CC=CC=C2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=C(C=C1)C[NH2+]CCOC2=CC=CC=C2)OC)O

InChI

InChI=1S/C23H34N2O4/c1-18(2)25(3)16-20(26)17-29-22-11-10-19(14-23(22)27-4)15-24-12-13-28-21-8-6-5-7-9-21/h5-11,14,18,20,24,26H,12-13,15-17H2,1-4H3/p+2/t20-/m1/s1