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

Systemtic Name: N-cyclopropyl-2-[3-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide bromide Openeye Name: N-cyclopropyl-2-[3-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide bromide CAS Name: N-cyclopropyl-2-[3-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]acetamide bromide IUPAC Name: N-cyclopropyl-2-[3-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide bromide Traditional Name: N-cyclopropyl-2-[3-[5-[phenoxy(phenyl)methyl]-1H-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=NNC(=C3)C(C4=CC=CC=C4)OC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)C(C4=CC=CC=C4)OC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H24N4O2.BrH/c31-25(27-21-13-14-21)18-30-15-7-10-20(17-30)23-16-24(29-28-23)26(19-8-3-1-4-9-19)32-22-11-5-2-6-12-22;/h1-12,15-17,21,26H,13-14,18H2,(H-,27,28,29,31);1H