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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CC4=CC=CC=C4

InChI

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