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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O3/c1-18-13-19(2)27(24-18)12-11-25(3)15-20-7-8-22(23(14-20)29-4)30-17-21(28)16-26-9-5-6-10-26/h7-8,13-14,21,28H,5-6,9-12,15-17H2,1-4H3/p+2/t21-/m1/s1