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

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-ethyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium Traditional Name: ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(piazthiol-5-ylmethyl)ammonium Formula: C21H36N5S+3 MolecularWeight: 390.60904

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H33N5S/c1-3-25(16-18-4-5-20-21(14-18)23-27-22-20)15-17-6-12-26(13-7-17)19-8-10-24(2)11-9-19/h4-5,14,17,19H,3,6-13,15-16H2,1-2H3/p+3