2-[(1-phenacylpyridin-1-ium-4-yl)carbonylamino]ethyl benzoate bromide

Systemtic Name: 2-[(1-phenacylpyridin-1-ium-4-yl)carbonylamino]ethyl benzoate bromide Openeye Name: 2-[(1-phenacylpyridin-1-ium-4-carbonyl)amino]ethyl benzoate bromide CAS Name: benzoic acid 2-[[oxo-(1-phenacyl-4-pyridin-1-iumyl)methyl]amino]ethyl ester bromide IUPAC Name: 2-[(1-phenacylpyridin-1-ium-4-carbonyl)amino]ethyl benzoate bromide Traditional Name: benzoic acid 2-[(1-phenacylpyridin-1-ium-4-carbonyl)amino]ethyl ester bromide Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4.BrH/c26-21(18-7-3-1-4-8-18)17-25-14-11-19(12-15-25)22(27)24-13-16-29-23(28)20-9-5-2-6-10-20;/h1-12,14-15H,13,16-17H2;1H