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

Systemtic Name: [(1S)-1-[4-(2-azanyl-2-oxidanylidene-ethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[4-(2-amino-2-oxo-ethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[4-(2-amino-2-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[4-(2-amino-2-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[4-(2-amino-2-keto-ethyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N)(C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N)(C)C)[NH3+]

InChI

InChI=1S/C15H21N3O3/c1-4-10(16)9-5-6-12-11(7-9)18(8-13(17)19)14(20)15(2,3)21-12/h5-7,10H,4,8,16H2,1-3H3,(H2,17,19)/p+1/t10-/m0/s1