2-(1-phenacylpyridin-1-ium-4-yl)ethanesulfonate

Systemtic Name: 2-(1-phenacylpyridin-1-ium-4-yl)ethanesulfonate Openeye Name: 2-(1-phenacylpyridin-1-ium-4-yl)ethanesulfonate CAS Name: 2-(1-phenacyl-4-pyridin-1-iumyl)ethanesulfonate IUPAC Name: 2-(1-phenacylpyridin-1-ium-4-yl)ethanesulfonate Traditional Name: 2-(1-phenacylpyridin-1-ium-4-yl)ethanesulfonate Formula: C15H15NO4S MolecularWeight: 305.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-]

InChI

InChI=1S/C15H15NO4S/c17-15(14-4-2-1-3-5-14)12-16-9-6-13(7-10-16)8-11-21(18,19)20/h1-7,9-10H,8,11-12H2