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

Systemtic Name: [(2R)-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[3-(1-pyrazolyl)propylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylazaniumyl)methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C21H36N4O3+2 MolecularWeight: 392.53554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CC=N2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CC=N2)OC)O

InChI

InChI=1S/C21H34N4O3/c1-17(2)24(3)15-19(26)16-28-21-13-18(7-8-20(21)27-4)14-22-9-5-11-25-12-6-10-23-25/h6-8,10,12-13,17,19,22,26H,5,9,11,14-16H2,1-4H3/p+2/t19-/m1/s1