[(2R)-3-[2-methoxy-5-[(2-pyrazin-2-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[(2-pyrazin-2-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(2-pyrazin-2-ylethylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[2-(2-pyrazinyl)ethylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(2-pyrazin-2-ylethylazaniumyl)methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(2-pyrazin-2-ylethylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH2+]CCC2=NC=CN=C2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH2+]CCC2=NC=CN=C2)OC)O

InChI

InChI=1S/C21H32N4O3/c1-16(2)25(3)14-19(26)15-28-21-11-17(5-6-20(21)27-4)12-22-8-7-18-13-23-9-10-24-18/h5-6,9-11,13,16,19,22,26H,7-8,12,14-15H2,1-4H3/p+2/t19-/m1/s1