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

Systemtic Name: (2S)-N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-ethanamide Openeye Name: (2S)-N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: (2S)-N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxy-2-phenylacetamide IUPAC Name: (2S)-N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide Traditional Name: (2S)-N-[2-[1-(coumaran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H30N4O3/c1-32-25(20-5-3-2-4-6-20)26(31)28-24-9-13-27-30(24)22-10-14-29(15-11-22)18-19-7-8-23-21(17-19)12-16-33-23/h2-9,13,17,22,25H,10-12,14-16,18H2,1H3,(H,28,31)/p+1/t25-/m0/s1