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

Systemtic Name: N-cyclopropyl-2-[3-[5-(phenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanamide bromide Openeye Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-N-cyclopropyl-acetamide bromide CAS Name: N-cyclopropyl-2-[3-[5-(phenylmethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]acetamide bromide IUPAC Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-N-cyclopropylacetamide bromide Traditional Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-N-cyclopropyl-acetamide bromide Formula: C20H21BrN4O MolecularWeight: 413.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CC1NC(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C20H20N4O.BrH/c25-20(21-17-8-9-17)14-24-10-4-7-16(13-24)19-12-18(22-23-19)11-15-5-2-1-3-6-15;/h1-7,10,12-13,17H,8-9,11,14H2,(H-,21,22,23,25);1H