6-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]pyridin-1-ium-3-sulfonamide Formula: C17H19N4O2S2+ MolecularWeight: 375.48836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H18N4O2S2/c18-25(22,23)13-7-8-16(19-10-13)21-9-3-4-12(11-21)17-20-14-5-1-2-6-15(14)24-17/h1-2,5-8,10,12H,3-4,9,11H2,(H2,18,22,23)/p+1/t12-/m0/s1