1-[[2-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[[2-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[[2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[[2-[(3-carbamoyl-1-pyridin-1-iumyl)methyl]phenyl]methyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[[2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzyl]pyridin-1-ium-3-carboxamide bromide Formula: C20H20BrN4O2+ MolecularWeight: 428.3024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=CC=CC(=C2)C(=O)N)C[N+]3=CC=CC(=C3)C(=O)N.[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=CC=CC(=C2)C(=O)N)C[N+]3=CC=CC(=C3)C(=O)N.[Br-]

InChI

InChI=1S/C20H18N4O2.BrH/c21-19(25)17-7-3-9-23(13-17)11-15-5-1-2-6-16(15)12-24-10-4-8-18(14-24)20(22)26;/h1-10,13-14H,11-12H2,(H2-2,21,22,25,26);1H/p+1