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

Systemtic Name: 6-butyl-10-methyl-3-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 3-benzyl-6-butyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-butyl-10-methyl-3-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 3-benzyl-6-butyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 3-benzyl-6-butyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC=CC=C4)C=C12)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC=CC=C4)C=C12)C

InChI

InChI=1S/C23H25NO3/c1-3-4-10-18-12-21(25)27-23-16(2)22-19(11-20(18)23)14-24(15-26-22)13-17-8-6-5-7-9-17/h5-9,11-12H,3-4,10,13-15H2,1-2H3/p+1