3-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-(3-chlorobenzyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C22H17ClNO3+ MolecularWeight: 378.82828

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC[NH+]1CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1C2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC[NH+]1CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H16ClNO3/c23-15-5-3-4-14(10-15)11-24-12-19-20(26-13-24)9-8-17-16-6-1-2-7-18(16)22(25)27-21(17)19/h1-10H,11-13H2/p+1