(2S)-1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C24H24N4O2/c25-24(29)20-10-6-12-27(20)15-19-16-28(14-17-7-2-1-3-8-17)26-23(19)22-13-18-9-4-5-11-21(18)30-22/h1-5,7-9,11,13,16,20H,6,10,12,14-15H2,(H2,25,29)/p+1/t20-/m0/s1