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

Systemtic Name: (2S)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-ethanamide Openeye Name: (2S)-N-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: (2S)-N-[2-[1-(2-benzofuranylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxy-2-phenylacetamide IUPAC Name: (2S)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide Traditional Name: (2S)-N-[2-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H28N4O3/c1-32-25(19-7-3-2-4-8-19)26(31)28-24-11-14-27-30(24)21-12-15-29(16-13-21)18-22-17-20-9-5-6-10-23(20)33-22/h2-11,14,17,21,25H,12-13,15-16,18H2,1H3,(H,28,31)/p+1/t25-/m0/s1