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

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

CC1=C(C(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCC4=CC=CC=C4)C

InChI

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