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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+](C)CC2=CC=C(C=C2)OCC(C[NH+]3CCCCC3)O)C

Isomeric SMILES

CC1=NN(C=C1C[NH+](C)CC2=CC=C(C=C2)OC[C@H](C[NH+]3CCCCC3)O)C

InChI

InChI=1S/C22H34N4O2/c1-18-20(15-25(3)23-18)14-24(2)13-19-7-9-22(10-8-19)28-17-21(27)16-26-11-5-4-6-12-26/h7-10,15,21,27H,4-6,11-14,16-17H2,1-3H3/p+2/t21-/m0/s1