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

Systemtic Name: (2S)-2-methoxy-N-[2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-methoxy-N-[2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-N-[2-[1-[(1-methyl-2-imidazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: (2S)-2-methoxy-N-[2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: (2S)-2-methoxy-N-[2-[1-[(1-methylimidazol-2-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=CN=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C4=CC=CC=C4)OC

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H](C4=CC=CC=C4)OC

InChI

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