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

Systemtic Name: 2-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]-3,1-benzoxazin-4-one chloride Openeye Name: 2-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]-3,1-benzoxazin-4-one chloride CAS Name: 2-[4-(2-isoquinolin-2-iumylmethyl)phenyl]-3,1-benzoxazin-4-one chloride IUPAC Name: 2-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]-3,1-benzoxazin-4-one chloride Traditional Name: 2-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]-3,1-benzoxazin-4-one chloride Formula: C24H17ClN2O2 MolecularWeight: 400.85698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4.[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4.[Cl-]

InChI

InChI=1S/C24H17N2O2.ClH/c27-24-21-7-3-4-8-22(21)25-23(28-24)19-11-9-17(10-12-19)15-26-14-13-18-5-1-2-6-20(18)16-26;/h1-14,16H,15H2;1H/q+1;/p-1