1-[(2S)-3-ethyl-2-(5-methylhexyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanone

Systemtic Name: 1-[(2S)-3-ethyl-2-(5-methylhexyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanone Openeye Name: 1-[(2S)-3-ethyl-2-(5-methylhexyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanone CAS Name: 1-[(2S)-3-ethyl-2-(5-methylhexyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanone IUPAC Name: 1-[(2S)-3-ethyl-2-(5-methylhexyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanone Traditional Name: 1-[(2S)-3-ethyl-2-(5-methylhexyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl]ethanone Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC2=C(C=CC(=C2)C(=O)C)OC1CCCCC(C)C

Isomeric SMILES

CC[NH+]1CC2=C(C=CC(=C2)C(=O)C)O[C@H]1CCCCC(C)C

InChI

InChI=1S/C19H29NO2/c1-5-20-13-17-12-16(15(4)21)10-11-18(17)22-19(20)9-7-6-8-14(2)3/h10-12,14,19H,5-9,13H2,1-4H3/p+1/t19-/m0/s1