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

Systemtic Name: (2S)-2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-N-[2-[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: (2S)-2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: (2S)-2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C4=CC=CC=C4)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H](C4=CC=CC=C4)OC

InChI

InChI=1S/C22H28N6O2/c1-26-15-17(14-24-26)16-27-12-9-19(10-13-27)28-20(8-11-23-28)25-22(29)21(30-2)18-6-4-3-5-7-18/h3-8,11,14-15,19,21H,9-10,12-13,16H2,1-2H3,(H,25,29)/p+1/t21-/m0/s1