N-[2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)ethyl]aniline; sulfuric acid

Systemtic Name: N-[2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)ethyl]aniline; sulfuric acid Openeye Name: N-[2-(6-methyl-1-oxido-pyridin-1-ium-3-yl)ethyl]aniline; sulfuric acid CAS Name: N-[2-(6-methyl-1-oxido-3-pyridin-1-iumyl)ethyl]aniline; sulfuric acid IUPAC Name: N-[2-(6-methyl-1-oxidopyridin-1-ium-3-yl)ethyl]aniline; sulfuric acid Traditional Name: 2-(6-methyl-1-oxido-pyridin-1-ium-3-yl)ethyl-phenyl-amine; sulfuric acid Formula: C14H18N2O5S MolecularWeight: 326.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CCNC2=CC=CC=C2)[O-].OS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C=C(C=C1)CCNC2=CC=CC=C2)[O-].OS(=O)(=O)O

InChI

InChI=1S/C14H16N2O.H2O4S/c1-12-7-8-13(11-16(12)17)9-10-15-14-5-3-2-4-6-14;1-5(2,3)4/h2-8,11,15H,9-10H2,1H3;(H2,1,2,3,4)