6-ethyl-10-methyl-3-[(2S)-2-oxidanylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 6-ethyl-10-methyl-3-[(2S)-2-oxidanylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 6-ethyl-3-[(2S)-2-hydroxypropyl]-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-ethyl-3-[(2S)-2-hydroxypropyl]-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 6-ethyl-3-[(2S)-2-hydroxypropyl]-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-ethyl-3-[(2S)-2-hydroxypropyl]-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C17H22NO4+ MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC(C)O)C=C12)C

Isomeric SMILES

CCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)C[C@H](C)O)C=C12)C

InChI

InChI=1S/C17H21NO4/c1-4-12-6-15(20)22-17-11(3)16-13(5-14(12)17)8-18(9-21-16)7-10(2)19/h5-6,10,19H,4,7-9H2,1-3H3/p+1/t10-/m0/s1