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

Systemtic Name: 4-methyl-9-(3-methylbutyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-isopentyl-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-methyl-9-(3-methylbutyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 4-methyl-9-(3-methylbutyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-isoamyl-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC(C)C

InChI

InChI=1S/C17H21NO3/c1-11(2)6-7-18-9-14-15(20-10-18)5-4-13-12(3)8-16(19)21-17(13)14/h4-5,8,11H,6-7,9-10H2,1-3H3/p+1