2-[(2R)-6-[(1S)-1-azaniumylethyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2R)-6-[(1S)-1-azaniumylethyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-6-[(1S)-1-azaniumylethyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-6-[(1S)-1-ammonioethyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-6-[(1S)-1-azaniumylethyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-6-[(1S)-1-ammonioethyl]-2-ethyl-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CC[NH+](C)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CC[NH+](C)C

InChI

InChI=1S/C16H25N3O2/c1-5-14-16(20)19(9-8-18(3)4)13-10-12(11(2)17)6-7-15(13)21-14/h6-7,10-11,14H,5,8-9,17H2,1-4H3/p+2/t11-,14+/m0/s1