9-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-4-methyl-3-(phenylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 9-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-4-methyl-3-(phenylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-6-chloro-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-(1,3-benzodioxol-5-ylmethyl)-6-chloro-4-methyl-3-(phenylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-6-chloro-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 3-benzyl-6-chloro-4-methyl-9-piperonyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C27H23ClNO5+ MolecularWeight: 476.92822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)OC2=C3C[NH+](COC3=C(C=C12)Cl)CC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

InChI

InChI=1S/C27H22ClNO5/c1-16-19-11-22(28)26-21(25(19)34-27(30)20(16)9-17-5-3-2-4-6-17)13-29(14-31-26)12-18-7-8-23-24(10-18)33-15-32-23/h2-8,10-11H,9,12-15H2,1H3/p+1