(1-ethylpyrazol-4-yl)methyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: (1-ethylpyrazol-4-yl)methyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1-ethylpyrazol-4-yl)methyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (1-ethyl-4-pyrazolyl)methyl-[[3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (1-ethylpyrazol-4-yl)methyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (1-ethylpyrazol-4-yl)methyl-[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-3-25-14-18(13-23-25)12-22-11-17-6-7-20(27-2)21(10-17)28-16-19(26)15-24-8-4-5-9-24/h6-7,10,13-14,19,22,26H,3-5,8-9,11-12,15-16H2,1-2H3/p+2/t19-/m1/s1