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

Systemtic Name: [(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(2-keto-2-pyrrolidino-ethyl)-2,2-dimethyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N3CCCC3)(C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N3CCCC3)(C)C)[NH3+]

InChI

InChI=1S/C18H25N3O3/c1-12(19)13-6-7-15-14(10-13)21(17(23)18(2,3)24-15)11-16(22)20-8-4-5-9-20/h6-7,10,12H,4-5,8-9,11,19H2,1-3H3/p+1/t12-/m0/s1