(2S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+]3CCCC3C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+]3CCC[C@H]3C(=O)N

InChI

InChI=1S/C18H24N4O4/c1-24-14-7-11(8-15(25-2)17(14)26-3)16-12(9-20-21-16)10-22-6-4-5-13(22)18(19)23/h7-9,13H,4-6,10H2,1-3H3,(H2,19,23)(H,20,21)/p+1/t13-/m0/s1