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

Systemtic Name: 6-chloranyl-4-methyl-9-(3-methylbutyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 6-chloro-9-isopentyl-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 6-chloro-4-methyl-9-(3-methylbutyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 6-chloro-4-methyl-9-(3-methylbutyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 6-chloro-9-isoamyl-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C17H21ClNO3+ MolecularWeight: 322.80654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO3/c1-10(2)4-5-19-8-13-16-12(11(3)6-15(20)22-16)7-14(18)17(13)21-9-19/h6-7,10H,4-5,8-9H2,1-3H3/p+1