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

Systemtic Name: (1,5-dimethylpyrazol-3-yl)methyl-[[4-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1,5-dimethylpyrazol-3-yl)methyl-[[4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: (1,5-dimethyl-3-pyrazolyl)methyl-[[4-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: (1,5-dimethylpyrazol-3-yl)methyl-[[4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: (1,5-dimethylpyrazol-3-yl)methyl-[4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C21H34N4O2+2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C[NH2+]CC2=CC=C(C=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=CC(=NN1C)C[NH2+]CC2=CC=C(C=C2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C21H32N4O2/c1-17-12-19(23-24(17)2)14-22-13-18-6-8-21(9-7-18)27-16-20(26)15-25-10-4-3-5-11-25/h6-9,12,20,22,26H,3-5,10-11,13-16H2,1-2H3/p+2/t20-/m1/s1