6-butyl-10-methyl-3-phenethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 6-butyl-10-methyl-3-phenethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 6-butyl-10-methyl-3-phenethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-butyl-10-methyl-3-phenethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 6-butyl-10-methyl-3-phenethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-butyl-10-methyl-3-phenethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C24H28NO3+ MolecularWeight: 378.48402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CCC4=CC=CC=C4)C=C12)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CCC4=CC=CC=C4)C=C12)C

InChI

InChI=1S/C24H27NO3/c1-3-4-10-19-14-22(26)28-24-17(2)23-20(13-21(19)24)15-25(16-27-23)12-11-18-8-6-5-7-9-18/h5-9,13-14H,3-4,10-12,15-16H2,1-2H3/p+1