5-bromanyl-N-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-N-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1H-indole-2-carboxamide Openeye Name: N-(1-benzylpyridin-1-ium-2-yl)-5-bromo-1H-indole-2-carboxamide CAS Name: 5-bromo-N-[1-(phenylmethyl)-2-pyridin-1-iumyl]-1H-indole-2-carboxamide IUPAC Name: N-(1-benzylpyridin-1-ium-2-yl)-5-bromo-1H-indole-2-carboxamide Traditional Name: N-(1-benzylpyridin-1-ium-2-yl)-5-bromo-1H-indole-2-carboxamide Formula: C21H17BrN3O+ MolecularWeight: 407.28318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC=C2NC(=O)C3=CC4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC=C2NC(=O)C3=CC4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C21H16BrN3O/c22-17-9-10-18-16(12-17)13-19(23-18)21(26)24-20-8-4-5-11-25(20)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)/p+1