4-methyl-N-[2-[(pyridin-1-ium-2-ylamino)methyl]phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[(pyridin-1-ium-2-ylamino)methyl]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[(pyridin-1-ium-2-ylamino)methyl]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[(2-pyridin-1-iumylamino)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[(pyridin-1-ium-2-ylamino)methyl]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[(pyridin-1-ium-2-ylamino)methyl]phenyl]benzenesulfonamide Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H19N3O2S/c1-15-9-11-17(12-10-15)25(23,24)22-18-7-3-2-6-16(18)14-21-19-8-4-5-13-20-19/h2-13,22H,14H2,1H3,(H,20,21)/p+1