7-methyl-10-(phenylmethyl)-2,3,4,9,10,11-hexahydro-1H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one

Systemtic Name: 7-methyl-10-(phenylmethyl)-2,3,4,9,10,11-hexahydro-1H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Openeye Name: 10-benzyl-7-methyl-2,3,4,9,10,11-hexahydro-1H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one CAS Name: 7-methyl-10-(phenylmethyl)-2,3,4,9,10,11-hexahydro-1H-[2]benzopyrano[4,3-g][1,3]benzoxazin-10-ium-5-one IUPAC Name: 10-benzyl-7-methyl-2,3,4,9,10,11-hexahydro-1H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Traditional Name: 10-benzyl-7-methyl-2,3,4,9,10,11-hexahydro-1H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Formula: C23H24NO3+ MolecularWeight: 362.44156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1OC[NH+](C3)CC4=CC=CC=C4)C5=C(CCCC5)C(=O)O2

Isomeric SMILES

CC1=C2C(=CC3=C1OC[NH+](C3)CC4=CC=CC=C4)C5=C(CCCC5)C(=O)O2

InChI

InChI=1S/C23H23NO3/c1-15-21-17(13-24(14-26-21)12-16-7-3-2-4-8-16)11-20-18-9-5-6-10-19(18)23(25)27-22(15)20/h2-4,7-8,11H,5-6,9-10,12-14H2,1H3/p+1