6-chloranyl-9-phenethyl-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 6-chloranyl-9-phenethyl-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 6-chloro-9-phenethyl-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 6-chloro-9-phenethyl-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 6-chloro-9-phenethyl-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 6-chloro-9-phenethyl-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C25H21ClNO3+ MolecularWeight: 418.89214

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C3C(=CC(=C2OC[NH+]1CCC4=CC=CC=C4)Cl)C(=CC(=O)O3)C5=CC=CC=C5

Isomeric SMILES

C1C2=C3C(=CC(=C2OC[NH+]1CCC4=CC=CC=C4)Cl)C(=CC(=O)O3)C5=CC=CC=C5

InChI

InChI=1S/C25H20ClNO3/c26-22-13-20-19(18-9-5-2-6-10-18)14-23(28)30-24(20)21-15-27(16-29-25(21)22)12-11-17-7-3-1-4-8-17/h1-10,13-14H,11-12,15-16H2/p+1