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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-3-keto-4-(2-keto-2-pyrrolidino-ethyl)-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C19H28N3O3+ MolecularWeight: 346.44392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3/c1-3-14(20)13-7-8-17-15(11-13)22(19(24)16(4-2)25-17)12-18(23)21-9-5-6-10-21/h7-8,11,14,16H,3-6,9-10,12,20H2,1-2H3/p+1/t14-,16+/m0/s1