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

Systemtic Name: 2-[(2S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]pyrrolidin-2-yl]-1,3-benzothiazole Formula: C21H26N5O2S2+ MolecularWeight: 444.59344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H25N5O2S2/c1-24-11-13-25(14-12-24)30(27,28)16-8-9-20(22-15-16)26-10-4-6-18(26)21-23-17-5-2-3-7-19(17)29-21/h2-3,5,7-9,15,18H,4,6,10-14H2,1H3/p+1/t18-/m0/s1