N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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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)N4CCCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C19H22N4O2S2/c1-22(14-19-21-16-7-3-4-8-17(16)26-19)18-10-9-15(13-20-18)27(24,25)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3/p+1