6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide Formula: C14H15N4O2S2+ MolecularWeight: 335.4245

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C14H14N4O2S2/c1-18(13-7-6-10(8-16-13)22(15,19)20)9-14-17-11-4-2-3-5-12(11)21-14/h2-8H,9H2,1H3,(H2,15,19,20)/p+1