6-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide

Systemtic Name: 6-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide Openeye Name: 6-[2-(4-chlorophenoxy)ethyl-methyl-amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide CAS Name: 6-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-pyridin-1-iumyl)-3-pyridinesulfonamide IUPAC Name: 6-[2-(4-chlorophenoxy)ethyl-methylamino]-N-pyridin-1-ium-2-ylpyridine-3-sulfonamide Traditional Name: 6-[2-(4-chlorophenoxy)ethyl-methyl-amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Cl)C2=NC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Cl)C2=NC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H19ClN4O3S/c1-24(12-13-27-16-7-5-15(20)6-8-16)19-10-9-17(14-22-19)28(25,26)23-18-4-2-3-11-21-18/h2-11,14H,12-13H2,1H3,(H,21,23)/p+1