3-(3,5-dimethylpyrazol-1-yl)propyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propyl-[[2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCCCC3)O)C

Isomeric SMILES

CC1=CC(=NN1CCC[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCCCC3)O)C

InChI

InChI=1S/C23H36N4O2/c1-19-15-20(2)27(25-19)14-8-11-24-16-21-9-4-5-10-23(21)29-18-22(28)17-26-12-6-3-7-13-26/h4-5,9-10,15,22,24,28H,3,6-8,11-14,16-18H2,1-2H3/p+2/t22-/m1/s1