N-cyclopropyl-2-[3-[5-(phenoxymethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide bromide

Systemtic Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide bromide Openeye Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide bromide CAS Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-2-phenyl-3-pyrazolyl]-1-pyridin-1-iumyl]acetamide bromide IUPAC Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-2-phenylpyrazol-3-yl]pyridin-1-ium-1-yl]acetamide bromide Traditional Name: N-cyclopropyl-2-[3-[5-(phenoxymethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide bromide Formula: C26H25BrN4O2 MolecularWeight: 505.4063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=CC(=NN3C4=CC=CC=C4)COC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=CC(=NN3C4=CC=CC=C4)COC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H24N4O2.BrH/c31-26(27-21-13-14-21)18-29-15-7-8-20(17-29)25-16-22(19-32-24-11-5-2-6-12-24)28-30(25)23-9-3-1-4-10-23;/h1-12,15-17,21H,13-14,18-19H2;1H