2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC[NH+](C)C

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC[NH+](C)C

InChI

InChI=1S/C16H24N2O2/c1-5-14-11-18(9-8-17(3)4)15-10-13(12(2)19)6-7-16(15)20-14/h6-7,10,14H,5,8-9,11H2,1-4H3/p+1/t14-/m0/s1