diethyl-[4-methanoyl-3-(sulfomethyl)phenyl]-methyl-azanium

Systemtic Name: diethyl-[4-methanoyl-3-(sulfomethyl)phenyl]-methyl-azanium Openeye Name: diethyl-[4-formyl-3-(sulfomethyl)phenyl]-methyl-ammonium CAS Name: diethyl-[4-formyl-3-(sulfomethyl)phenyl]-methylammonium IUPAC Name: diethyl-[4-formyl-3-(sulfomethyl)phenyl]-methylazanium Traditional Name: diethyl-[4-formyl-3-(sulfomethyl)phenyl]-methyl-ammonium Formula: C13H20NO4S+ MolecularWeight: 286.3672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)C1=CC(=C(C=C1)C=O)CS(=O)(=O)O

Isomeric SMILES

CC[N+](C)(CC)C1=CC(=C(C=C1)C=O)CS(=O)(=O)O

InChI

InChI=1S/C13H19NO4S/c1-4-14(3,5-2)13-7-6-11(9-15)12(8-13)10-19(16,17)18/h6-9H,4-5,10H2,1-3H3/p+1