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

Systemtic Name: 6-[(2-methoxyphenyl)methyl-methyl-amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide Openeye Name: 6-[(2-methoxyphenyl)methyl-methyl-amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide CAS Name: 6-[(2-methoxyphenyl)methyl-methylamino]-N-(2-pyridin-1-iumyl)-3-pyridinesulfonamide IUPAC Name: 6-[(2-methoxyphenyl)methyl-methylamino]-N-pyridin-1-ium-2-ylpyridine-3-sulfonamide Traditional Name: 6-[methyl(o-anisyl)amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1OC)C2=NC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CN(CC1=CC=CC=C1OC)C2=NC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

InChI

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