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

Systemtic Name: N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N6O/c1-3-28-17-20(18(2)26-28)16-27-13-10-21(11-14-27)29-22(9-12-24-29)25-23(30)15-19-7-5-4-6-8-19/h4-9,12,17,21H,3,10-11,13-16H2,1-2H3,(H,25,30)/p+1