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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(2-pyrazol-1-ylethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-pyrazol-1-ylethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[2-(1-pyrazolyl)ethylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-pyrazol-1-ylethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(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=C1C[NH2+]CCN2C=CC=N2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]CCN2C=CC=N2)O)C3CCCCC3

InChI

InChI=1S/C22H34N4O2/c1-25(20-9-3-2-4-10-20)17-21(27)18-28-22-11-6-5-8-19(22)16-23-13-15-26-14-7-12-24-26/h5-8,11-12,14,20-21,23,27H,2-4,9-10,13,15-18H2,1H3/p+2/t21-/m0/s1