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

Systemtic Name: N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N6O/c1-25-15-18(14-23-25)16-26-11-8-19(9-12-26)27-20(7-10-22-27)24-21(28)13-17-5-3-2-4-6-17/h2-7,10,14-15,19H,8-9,11-13,16H2,1H3,(H,24,28)/p+1