3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C23H20NO3+ MolecularWeight: 358.4098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CC3=C(C=CC4=C3OC(=O)C5=CC=CC=C45)OC2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CC3=C(C=CC4=C3OC(=O)C5=CC=CC=C45)OC2

InChI

InChI=1S/C23H19NO3/c1-15(16-7-3-2-4-8-16)24-13-20-21(26-14-24)12-11-18-17-9-5-6-10-19(17)23(25)27-22(18)20/h2-12,15H,13-14H2,1H3/p+1/t15-/m1/s1