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

Systemtic Name: (1-ethylpyrazol-4-yl)methyl-[[4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1-ethylpyrazol-4-yl)methyl-[[2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (1-ethyl-4-pyrazolyl)methyl-[[2-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (1-ethylpyrazol-4-yl)methyl-[[2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (1-ethylpyrazol-4-yl)methyl-[2-[(2S)-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=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-3-25-14-17(12-23-25)11-22-13-18-6-7-20(27-2)10-21(18)28-16-19(26)15-24-8-4-5-9-24/h6-7,10,12,14,19,22,26H,3-5,8-9,11,13,15-16H2,1-2H3/p+2/t19-/m0/s1