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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C)[NH3+]

InChI

InChI=1S/C15H23N3O2/c1-11(16)12-5-6-14-13(9-12)18(15(19)10-20-14)8-4-7-17(2)3/h5-6,9,11H,4,7-8,10,16H2,1-3H3/p+2/t11-/m0/s1