2-(4,6-dimethylpyrimidin-2-yl)ethyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)ethyl-[[2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C23H36N4O2+2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCCCC3)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)CC[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCCCC3)O)C

InChI

InChI=1S/C23H34N4O2/c1-18-14-19(2)26-23(25-18)10-11-24-15-20-8-4-5-9-22(20)29-17-21(28)16-27-12-6-3-7-13-27/h4-5,8-9,14,21,24,28H,3,6-7,10-13,15-17H2,1-2H3/p+2/t21-/m1/s1