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

Systemtic Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C23H31N6O2+ MolecularWeight: 423.53124

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCN4C=CC=N4

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCN4C=CC=N4

InChI

InChI=1S/C23H30N6O2/c1-31-22(19-7-3-2-4-8-19)23(30)26-21-9-13-25-29(21)20-10-17-27(18-11-20)14-6-16-28-15-5-12-24-28/h2-5,7-9,12-13,15,20,22H,6,10-11,14,16-18H2,1H3,(H,26,30)/p+1/t22-/m0/s1