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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC[NH2+]CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

CC1=C(C(=NN1)C)CC[NH2+]CC2=C(C=C(C=C2)OC)OC[C@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H34N4O3/c1-16-21(17(2)25-24-16)8-9-23-13-18-6-7-20(28-3)12-22(18)29-15-19(27)14-26-10-4-5-11-26/h6-7,12,19,23,27H,4-5,8-11,13-15H2,1-3H3,(H,24,25)/p+2/t19-/m0/s1