6-[(4-methylphenyl)methylamino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide

Systemtic Name: 6-[(4-methylphenyl)methylamino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide Openeye Name: 6-(p-tolylmethylamino)-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide CAS Name: 6-[(4-methylphenyl)methylamino]-N-(2-pyridin-1-iumyl)-3-pyridinesulfonamide IUPAC Name: 6-[(4-methylphenyl)methylamino]-N-pyridin-1-ium-2-ylpyridine-3-sulfonamide Traditional Name: 6-[(4-methylbenzyl)amino]-N-pyridin-1-ium-2-yl-pyridine-3-sulfonamide Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C18H18N4O2S/c1-14-5-7-15(8-6-14)12-20-17-10-9-16(13-21-17)25(23,24)22-18-4-2-3-11-19-18/h2-11,13H,12H2,1H3,(H,19,22)(H,20,21)/p+1