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

Systemtic Name: 6-chloranyl-4-ethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 6-chloro-4-ethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 6-chloro-4-ethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 6-chloro-4-ethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 6-chloro-4-ethyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C21H21ClNO3+ MolecularWeight: 370.84934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C21H20ClNO3/c1-2-15-10-19(24)26-20-16(15)11-18(22)21-17(20)12-23(13-25-21)9-8-14-6-4-3-5-7-14/h3-7,10-11H,2,8-9,12-13H2,1H3/p+1