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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CC(=O)N3CCCC3

Isomeric SMILES

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

InChI

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