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

Systemtic Name: 7-chloranyl-2-[2-(pyridin-1-ium-1-ylmethyl)phenyl]-3,1-benzoxazin-4-one chloride Openeye Name: 7-chloro-2-[2-(pyridin-1-ium-1-ylmethyl)phenyl]-3,1-benzoxazin-4-one chloride CAS Name: 7-chloro-2-[2-(1-pyridin-1-iumylmethyl)phenyl]-3,1-benzoxazin-4-one chloride IUPAC Name: 7-chloro-2-[2-(pyridin-1-ium-1-ylmethyl)phenyl]-3,1-benzoxazin-4-one chloride Traditional Name: 7-chloro-2-[2-(pyridin-1-ium-1-ylmethyl)phenyl]-3,1-benzoxazin-4-one chloride Formula: C20H14Cl2N2O2 MolecularWeight: 385.24336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=CC=C2C3=NC4=C(C=CC(=C4)Cl)C(=O)O3.[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=CC=C2C3=NC4=C(C=CC(=C4)Cl)C(=O)O3.[Cl-]

InChI

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