2-[1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumyl]-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-4-piperidyl]-1,3-benzothiazole Formula: C22H29N5O2S2+2 MolecularWeight: 459.62796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H27N5O2S2/c1-25-12-14-27(15-13-25)31(28,29)18-6-7-21(23-16-18)26-10-8-17(9-11-26)22-24-19-4-2-3-5-20(19)30-22/h2-7,16-17H,8-15H2,1H3/p+2