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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(3-pyrazol-1-ylpropylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-pyrazol-1-ylpropylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[3-(1-pyrazolyl)propylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-pyrazol-1-ylpropylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-pyrazol-1-ylpropylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]CCCN2C=CC=N2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]CCCN2C=CC=N2)O)C3CCCCC3

InChI

InChI=1S/C23H36N4O2/c1-26(21-10-3-2-4-11-21)18-22(28)19-29-23-12-6-5-9-20(23)17-24-13-7-15-27-16-8-14-25-27/h5-6,8-9,12,14,16,21-22,24,28H,2-4,7,10-11,13,15,17-19H2,1H3/p+2/t22-/m0/s1