N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline; methyl hydrogen sulfite

Systemtic Name: N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline; methyl hydrogen sulfite Openeye Name: N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline; methyl hydrogen sulfite CAS Name: N-ethyl-N-[2-(1-pyridin-1-iumyl)ethyl]aniline; sulfurous acid methyl ester IUPAC Name: N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline; methyl hydrogen sulfite Traditional Name: ethyl-phenyl-(2-pyridin-1-ium-1-ylethyl)amine; sulfurous acid methyl ester Formula: C16H23N2O3S+ MolecularWeight: 323.43042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+]1=CC=CC=C1)C2=CC=CC=C2.COS(=O)O

Isomeric SMILES

CCN(CC[N+]1=CC=CC=C1)C2=CC=CC=C2.COS(=O)O

InChI

InChI=1S/C15H19N2.CH4O3S/c1-2-17(15-9-5-3-6-10-15)14-13-16-11-7-4-8-12-16;1-4-5(2)3/h3-12H,2,13-14H2,1H3;1H3,(H,2,3)/q+1;