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

Systemtic Name: 3-[(2R)-2-ethyl-6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-2-ethyl-6-formyl-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-4-14-16(20)18(9-5-8-17(2)3)13-10-12(11-19)6-7-15(13)21-14/h6-7,10-11,14H,4-5,8-9H2,1-3H3/p+1/t14-/m1/s1