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

Systemtic Name: 6-chloranyl-9-(3-oxidanylpropyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 6-chloro-9-(3-hydroxypropyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 6-chloro-9-(3-hydroxypropyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 6-chloro-9-(3-hydroxypropyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 6-chloro-9-(3-hydroxypropyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C17H21ClNO4+ MolecularWeight: 338.80594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO4/c1-2-4-11-7-15(21)23-16-12(11)8-14(18)17-13(16)9-19(10-22-17)5-3-6-20/h7-8,20H,2-6,9-10H2,1H3/p+1