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

Systemtic Name: (2S)-N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-ethanamide Openeye Name: (2S)-N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: (2S)-N-[2-[1-(1,3-benzodioxol-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxy-2-phenylacetamide IUPAC Name: (2S)-N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide Traditional Name: (2S)-N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C25H28N4O4/c1-31-24(18-6-3-2-4-7-18)25(30)27-22-10-13-26-29(22)20-11-14-28(15-12-20)16-19-8-5-9-21-23(19)33-17-32-21/h2-10,13,20,24H,11-12,14-17H2,1H3,(H,27,30)/p+1/t24-/m0/s1