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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCCC3)O)OC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCC3)O)OC)C

InChI

InChI=1S/C23H36N4O3/c1-5-27-18(3)21(17(2)25-27)14-24-13-19-8-9-22(23(12-19)29-4)30-16-20(28)15-26-10-6-7-11-26/h8-9,12,20,24,28H,5-7,10-11,13-16H2,1-4H3/p+2/t20-/m1/s1