1-[(1-phenacylpyridin-1-ium-3-yl)carbonylamino]-3-phenyl-urea bromide

Systemtic Name: 1-[(1-phenacylpyridin-1-ium-3-yl)carbonylamino]-3-phenyl-urea bromide Openeye Name: 1-[(1-phenacylpyridin-1-ium-3-carbonyl)amino]-3-phenyl-urea bromide CAS Name: 1-[[oxo-(1-phenacyl-3-pyridin-1-iumyl)methyl]amino]-3-phenylurea bromide IUPAC Name: 1-[(1-phenacylpyridin-1-ium-3-carbonyl)amino]-3-phenylurea bromide Traditional Name: 1-[(1-phenacylpyridin-1-ium-3-carbonyl)amino]-3-phenyl-urea bromide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)NNC(=O)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)NNC(=O)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H18N4O3.BrH/c26-19(16-8-3-1-4-9-16)15-25-13-7-10-17(14-25)20(27)23-24-21(28)22-18-11-5-2-6-12-18;/h1-14H,15H2,(H2-,22,23,24,27,28);1H