[1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)-4-piperidin-1-iumyl]-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidino-methanone Formula: C20H25N6OS+ MolecularWeight: 397.5171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H24N6OS/c27-20(25-9-3-4-10-25)17-13-26(23-22-17)15-7-11-24(12-8-15)14-19-21-16-5-1-2-6-18(16)28-19/h1-2,5-6,13,15H,3-4,7-12,14H2/p+1