2-(3,5-dimethylpyrazol-1-yl)ethyl-[[4-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[4-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[[4-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC[NH2+]CC2=CC=C(C=C2)OCC(C[NH+]3CCCCC3)O)C

Isomeric SMILES

CC1=CC(=NN1CC[NH2+]CC2=CC=C(C=C2)OC[C@@H](C[NH+]3CCCCC3)O)C

InChI

InChI=1S/C22H34N4O2/c1-18-14-19(2)26(24-18)13-10-23-15-20-6-8-22(9-7-20)28-17-21(27)16-25-11-4-3-5-12-25/h6-9,14,21,23,27H,3-5,10-13,15-17H2,1-2H3/p+2/t21-/m1/s1