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

Systemtic Name: 2-[6-[(1S)-1-azaniumylethyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-[(1S)-1-azaniumylethyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-[(1S)-1-ammonioethyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[6-[(1S)-1-azaniumylethyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[6-[(1S)-1-ammonioethyl]-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C14H23N3O2+2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CC[NH+](C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC[NH+](C)C)[NH3+]

InChI

InChI=1S/C14H21N3O2/c1-10(15)11-4-5-13-12(8-11)17(7-6-16(2)3)14(18)9-19-13/h4-5,8,10H,6-7,9,15H2,1-3H3/p+2/t10-/m0/s1