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

Systemtic Name: 6-ethyl-10-methyl-3-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 3-benzyl-6-ethyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-ethyl-10-methyl-3-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 3-benzyl-6-ethyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 3-benzyl-6-ethyl-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC=CC=C4)C=C12)C

Isomeric SMILES

CCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC=CC=C4)C=C12)C

InChI

InChI=1S/C21H21NO3/c1-3-16-10-19(23)25-21-14(2)20-17(9-18(16)21)12-22(13-24-20)11-15-7-5-4-6-8-15/h4-10H,3,11-13H2,1-2H3/p+1