cyclohexyl-methyl-[(2R)-2-oxidanyl-3-[3-[(2-pyrazol-1-ylethylazaniumyl)methyl]phenoxy]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2R)-2-oxidanyl-3-[3-[(2-pyrazol-1-ylethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[(2-pyrazol-1-ylethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[2-(1-pyrazolyl)ethylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[(2-pyrazol-1-ylethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[(2-pyrazol-1-ylethylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH2+]CCN2C=CC=N2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@H](COC1=CC=CC(=C1)C[NH2+]CCN2C=CC=N2)O)C3CCCCC3

InChI

InChI=1S/C22H34N4O2/c1-25(20-8-3-2-4-9-20)17-21(27)18-28-22-10-5-7-19(15-22)16-23-12-14-26-13-6-11-24-26/h5-7,10-11,13,15,20-21,23,27H,2-4,8-9,12,14,16-18H2,1H3/p+2/t21-/m1/s1