3-sulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium

Systemtic Name: 3-sulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium Openeye Name: 3-sulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium CAS Name: 3-sulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium IUPAC Name: 3-sulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium Traditional Name: 3-sulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium Formula: C10H12NO2S+ MolecularWeight: 210.27278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=S(=O)=O)CCC2=CC=CC=C21

Isomeric SMILES

C1C[N+](=S(=O)=O)CCC2=CC=CC=C21

InChI

InChI=1S/C10H12NO2S/c12-14(13)11-7-5-9-3-1-2-4-10(9)6-8-11/h1-4H,5-8H2/q+1