(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(coumaran-5-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]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=C(C=C4)C5=CC=NN5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCC3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

InChI

InChI=1S/C24H26N4O2/c29-24(26-21-6-4-18(5-7-21)22-9-11-25-27-22)20-2-1-12-28(16-20)15-17-3-8-23-19(14-17)10-13-30-23/h3-9,11,14,20H,1-2,10,12-13,15-16H2,(H,25,27)(H,26,29)/p+1/t20-/m0/s1