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

Systemtic Name: 7-methyl-10-[(2R)-2-phenylpropyl]-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Openeye Name: 7-methyl-10-[(2R)-2-phenylpropyl]-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one CAS Name: 7-methyl-10-[(2R)-2-phenylpropyl]-10,11-dihydro-9H-[2]benzopyrano[4,3-g][1,3]benzoxazin-10-ium-5-one IUPAC Name: 7-methyl-10-[(2R)-2-phenylpropyl]-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Traditional Name: 7-methyl-10-[(2R)-2-phenylpropyl]-10,11-dihydro-9H-isochromeno[4,3-g][1,3]benzoxazin-10-ium-5-one Formula: C25H24NO3+ MolecularWeight: 386.46296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1OC[NH+](C3)CC(C)C4=CC=CC=C4)C5=CC=CC=C5C(=O)O2

Isomeric SMILES

CC1=C2C(=CC3=C1OC[NH+](C3)C[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5C(=O)O2

InChI

InChI=1S/C25H23NO3/c1-16(18-8-4-3-5-9-18)13-26-14-19-12-22-20-10-6-7-11-21(20)25(27)29-24(22)17(2)23(19)28-15-26/h3-12,16H,13-15H2,1-2H3/p+1/t16-/m0/s1