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

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-4-(2-keto-2-pyrrolidino-ethyl)-2-methyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CC(=O)N3CCCC3

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CC(=O)N3CCCC3

InChI

InChI=1S/C17H23N3O3/c1-11(18)13-5-6-15-14(9-13)20(17(22)12(2)23-15)10-16(21)19-7-3-4-8-19/h5-6,9,11-12H,3-4,7-8,10,18H2,1-2H3/p+1/t11-,12+/m0/s1