6-[(3-methoxyphenyl)methyl-methyl-amino]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(3-methoxyphenyl)methyl-methyl-amino]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3-methoxyphenyl)methyl-methyl-amino]-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3-methoxyphenyl)methyl-methylamino]-N-(2-pyridinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3-methoxyphenyl)methyl-methylamino]-N-pyridin-2-ylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[m-anisyl(methyl)amino]-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3

InChI

InChI=1S/C19H20N4O3S/c1-23(14-15-6-5-7-16(12-15)26-2)19-10-9-17(13-21-19)27(24,25)22-18-8-3-4-11-20-18/h3-13H,14H2,1-2H3,(H,20,22)/p+1