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

Systemtic Name: 2-acetamidoethyl-[(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azanium Openeye Name: 2-acetamidoethyl-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium CAS Name: 2-acetamidoethyl-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium IUPAC Name: 2-acetamidoethyl-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azanium Traditional Name: 2-acetamidoethyl-[(1S)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]ammonium Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CCNC(=O)C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CCNC(=O)C

InChI

InChI=1S/C14H19N3O3/c1-9(15-5-6-16-10(2)18)11-3-4-13-12(7-11)17-14(19)8-20-13/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19)/p+1/t9-/m0/s1