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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 10-methyl-6-phenyl-3-piperonyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C26H22NO5+ MolecularWeight: 428.45658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1OC[NH+](C3)CC4=CC5=C(C=C4)OCO5)C(=CC(=O)O2)C6=CC=CC=C6

Isomeric SMILES

CC1=C2C(=CC3=C1OC[NH+](C3)CC4=CC5=C(C=C4)OCO5)C(=CC(=O)O2)C6=CC=CC=C6

InChI

InChI=1S/C26H21NO5/c1-16-25-19(10-21-20(11-24(28)32-26(16)21)18-5-3-2-4-6-18)13-27(14-29-25)12-17-7-8-22-23(9-17)31-15-30-22/h2-11H,12-15H2,1H3/p+1