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

Systemtic Name: [(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]-(2-pyrrolidin-1-ylethyl)azanium Openeye Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-(2-pyrrolidin-1-ylethyl)ammonium CAS Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-[2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-(2-pyrrolidin-1-ylethyl)azanium Traditional Name: [(1S)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-(2-pyrrolidinoethyl)ammonium Formula: C16H24N3O2+ MolecularWeight: 290.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CCN3CCCC3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CCN3CCCC3

InChI

InChI=1S/C16H23N3O2/c1-12(17-6-9-19-7-2-3-8-19)13-4-5-15-14(10-13)18-16(20)11-21-15/h4-5,10,12,17H,2-3,6-9,11H2,1H3,(H,18,20)/p+1/t12-/m0/s1