N-cyclopropyl-2-[3-[2-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide bromide

Systemtic Name: N-cyclopropyl-2-[3-[2-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide bromide Openeye Name: N-cyclopropyl-2-[3-[2-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide bromide CAS Name: N-cyclopropyl-2-[3-[2-[(3-phenoxyphenyl)methyl]-3-pyrazolyl]-1-pyridin-1-iumyl]acetamide bromide IUPAC Name: N-cyclopropyl-2-[3-[2-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]acetamide bromide Traditional Name: N-cyclopropyl-2-[3-[2-(3-phenoxybenzyl)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=NN3CC4=CC(=CC=C4)OC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=CC=NN3CC4=CC(=CC=C4)OC5=CC=CC=C5.[Br-]

InChI

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