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

Systemtic Name: 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]pyridin-1-ium-3-sulfonamide Formula: C15H17N4O2S2+ MolecularWeight: 349.45108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C15H16N4O2S2/c1-10(15-18-12-5-3-4-6-13(12)22-15)19(2)14-8-7-11(9-17-14)23(16,20)21/h3-10H,1-2H3,(H2,16,20,21)/p+1/t10-/m1/s1