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

Systemtic Name: [(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(1S)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-[2-(2-thienyl)ethyl]ammonium Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CCC3=CC=CS3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CCC3=CC=CS3

InChI

InChI=1S/C16H18N2O2S/c1-11(17-7-6-13-3-2-8-21-13)12-4-5-15-14(9-12)18-16(19)10-20-15/h2-5,8-9,11,17H,6-7,10H2,1H3,(H,18,19)/p+1/t11-/m0/s1