3-(1,3-benzodioxol-5-ylmethyl)-6,10-dimethyl-7-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-6,10-dimethyl-7-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-benzyl-6,10-dimethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-6,10-dimethyl-7-(phenylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-benzyl-6,10-dimethyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 7-benzyl-6,10-dimethyl-3-piperonyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C28H26NO5+ MolecularWeight: 456.50974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC5=C(C=C4)OCO5)C=C12)C)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC5=C(C=C4)OCO5)C=C12)C)CC6=CC=CC=C6

InChI

InChI=1S/C28H25NO5/c1-17-22-12-21-14-29(13-20-8-9-24-25(11-20)33-16-32-24)15-31-26(21)18(2)27(22)34-28(30)23(17)10-19-6-4-3-5-7-19/h3-9,11-12H,10,13-16H2,1-2H3/p+1