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

Systemtic Name: 6-butyl-10-methyl-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 6-butyl-10-methyl-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-butyl-10-methyl-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 6-butyl-10-methyl-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-butyl-10-methyl-3-[(1R)-1-phenylethyl]-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)C(C)C4=CC=CC=C4)C=C12)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO3/c1-4-5-9-19-13-22(26)28-24-16(2)23-20(12-21(19)24)14-25(15-27-23)17(3)18-10-7-6-8-11-18/h6-8,10-13,17H,4-5,9,14-15H2,1-3H3/p+1/t17-/m1/s1