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

Systemtic Name: (2S)-N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-2-phenyl-ethanamide Openeye Name: (2S)-N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: (2S)-N-[2-(1-cyclopentyl-4-piperidin-1-iumyl)-3-pyrazolyl]-2-methoxy-2-phenylacetamide IUPAC Name: (2S)-N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-2-phenylacetamide Traditional Name: (2S)-N-[2-(1-cyclopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCCC4

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C22H30N4O2/c1-28-21(17-7-3-2-4-8-17)22(27)24-20-11-14-23-26(20)19-12-15-25(16-13-19)18-9-5-6-10-18/h2-4,7-8,11,14,18-19,21H,5-6,9-10,12-13,15-16H2,1H3,(H,24,27)/p+1/t21-/m0/s1