4-nitro-N-[2-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)ethyl]benzamide bromide

Systemtic Name: 4-nitro-N-[2-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)ethyl]benzamide bromide Openeye Name: 4-nitro-N-[2-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)ethyl]benzamide bromide CAS Name: 4-nitro-N-[2-[2-(1-pyridin-1-iumyl)-1H-indol-3-yl]ethyl]benzamide bromide IUPAC Name: 4-nitro-N-[2-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)ethyl]benzamide bromide Traditional Name: 4-nitro-N-[2-(2-pyridin-1-ium-1-yl-1H-indol-3-yl)ethyl]benzamide bromide Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3N2)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3N2)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H18N4O3.BrH/c27-22(16-8-10-17(11-9-16)26(28)29)23-13-12-19-18-6-2-3-7-20(18)24-21(19)25-14-4-1-5-15-25;/h1-11,14-15,24H,12-13H2;1H