2,1,3-benzothiadiazol-5-ylmethyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(3-pyridylmethyl)ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(piazthiol-5-ylmethyl)-(3-pyridylmethyl)ammonium Formula: C25H35N5S+2 MolecularWeight: 437.6439

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)C[NH+](CC3=CC4=NSN=C4C=C3)CC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)C[NH+](CC3=CC4=NSN=C4C=C3)CC5=CN=CC=C5

InChI

InChI=1S/C25H33N5S/c1-2-8-23(9-3-1)30-13-5-7-22(19-30)18-29(17-21-6-4-12-26-15-21)16-20-10-11-24-25(14-20)28-31-27-24/h4,6,10-12,14-15,22-23H,1-3,5,7-9,13,16-19H2/p+2/t22-/m1/s1