2-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[3-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium Formula: C19H31N5OS+2 MolecularWeight: 377.54734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC3=NSN=C3C=C2

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C19H29N5OS/c1-23(2)12-9-20-19(25)6-4-15-7-10-24(11-8-15)14-16-3-5-17-18(13-16)22-26-21-17/h3,5,13,15H,4,6-12,14H2,1-2H3,(H,20,25)/p+2