(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(coumaran-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCC3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCC3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C24H26N4O2/c29-24(26-21-5-1-6-22(15-21)28-12-3-10-25-28)20-4-2-11-27(17-20)16-18-7-8-23-19(14-18)9-13-30-23/h1,3,5-8,10,12,14-15,20H,2,4,9,11,13,16-17H2,(H,26,29)/p+1/t20-/m0/s1