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

Systemtic Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C23H38N4O3+2 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=C(C(=NN1)C)CC[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H36N4O3/c1-17-21(18(2)26-25-17)9-10-24-14-19-7-8-22(29-3)23(13-19)30-16-20(28)15-27-11-5-4-6-12-27/h7-8,13,20,24,28H,4-6,9-12,14-16H2,1-3H3,(H,25,26)/p+2/t20-/m1/s1