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

Systemtic Name: 6-chloranyl-9-phenethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 6-chloro-9-phenethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 6-chloro-9-phenethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 6-chloro-9-phenethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 6-chloro-9-phenethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C22H23ClNO3+ MolecularWeight: 384.87592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C22H22ClNO3/c1-2-6-16-11-20(25)27-21-17(16)12-19(23)22-18(21)13-24(14-26-22)10-9-15-7-4-3-5-8-15/h3-5,7-8,11-12H,2,6,9-10,13-14H2,1H3/p+1