7-chloranyl-2-[3-(pyridin-1-ium-1-ylmethyl)phenyl]-3,1-benzoxazin-4-one bromide

Systemtic Name: 7-chloranyl-2-[3-(pyridin-1-ium-1-ylmethyl)phenyl]-3,1-benzoxazin-4-one bromide Openeye Name: 7-chloro-2-[3-(pyridin-1-ium-1-ylmethyl)phenyl]-3,1-benzoxazin-4-one bromide CAS Name: 7-chloro-2-[3-(1-pyridin-1-iumylmethyl)phenyl]-3,1-benzoxazin-4-one bromide IUPAC Name: 7-chloro-2-[3-(pyridin-1-ium-1-ylmethyl)phenyl]-3,1-benzoxazin-4-one bromide Traditional Name: 7-chloro-2-[3-(pyridin-1-ium-1-ylmethyl)phenyl]-3,1-benzoxazin-4-one bromide Formula: C20H14BrClN2O2 MolecularWeight: 429.69436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=CC(=C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)O3.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=CC(=C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)O3.[Br-]

InChI

InChI=1S/C20H14ClN2O2.BrH/c21-16-7-8-17-18(12-16)22-19(25-20(17)24)15-6-4-5-14(11-15)13-23-9-2-1-3-10-23;/h1-12H,13H2;1H/q+1;/p-1