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

Systemtic Name: 2-[6-[(1S)-1-azaniumylpropyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-[(1S)-1-azaniumylpropyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-[(1S)-1-ammoniopropyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[6-[(1S)-1-azaniumylpropyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[6-[(1S)-1-ammoniopropyl]-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2/c1-4-12(16)11-5-6-14-13(9-11)18(8-7-17(2)3)15(19)10-20-14/h5-6,9,12H,4,7-8,10,16H2,1-3H3/p+2/t12-/m0/s1