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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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