[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium Formula: C22H36N4O3+2 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+](C)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=CC(=NN1)C[NH+](C)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H34N4O3/c1-17-11-19(24-23-17)14-25(2)13-18-7-8-21(28-3)22(12-18)29-16-20(27)15-26-9-5-4-6-10-26/h7-8,11-12,20,27H,4-6,9-10,13-16H2,1-3H3,(H,23,24)/p+2/t20-/m1/s1