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

Systemtic Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2/c1-30-22(19-7-3-2-4-8-19)23(29)26-21-9-13-25-28(21)20-10-14-27(15-11-20)17-18-6-5-12-24-16-18/h2-9,12-13,16,20,22H,10-11,14-15,17H2,1H3,(H,26,29)/p+1/t22-/m0/s1