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

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[[3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[3-[(2R)-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=CC(=NN1CC[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCC3)O)C

Isomeric SMILES

CC1=CC(=NN1CC[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O)C

InChI

InChI=1S/C22H34N4O3/c1-17-12-18(2)26(24-17)11-8-23-14-19-6-7-21(28-3)22(13-19)29-16-20(27)15-25-9-4-5-10-25/h6-7,12-13,20,23,27H,4-5,8-11,14-16H2,1-3H3/p+2/t20-/m1/s1