3-[(2S)-butan-2-yl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Systemtic Name: 3-[(2S)-butan-2-yl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Openeye Name: 3-[(1S)-1-methylpropyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one CAS Name: 3-[(2S)-butan-2-yl]-3,4-dihydro-2H-[2]benzopyrano[3,4-f][1,3]benzoxazin-3-ium-6-one IUPAC Name: 3-[(2S)-butan-2-yl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Traditional Name: 3-[(1S)-1-methylpropyl]-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one Formula: C19H20NO3+ MolecularWeight: 310.367

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC1

Isomeric SMILES

CC[C@H](C)[NH+]1CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)OC1

InChI

InChI=1S/C19H19NO3/c1-3-12(2)20-10-16-17(22-11-20)9-8-14-13-6-4-5-7-15(13)19(21)23-18(14)16/h4-9,12H,3,10-11H2,1-2H3/p+1/t12-/m0/s1