2,1,3-benzothiadiazol-5-ylmethyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(piazthiol-5-ylmethyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C23H36N4OS+2 MolecularWeight: 416.62314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3CCCO3)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](C[C@H]3CCCO3)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C23H34N4OS/c1-2-5-20(4-1)27-11-9-18(10-12-27)15-26(17-21-6-3-13-28-21)16-19-7-8-22-23(14-19)25-29-24-22/h7-8,14,18,20-21H,1-6,9-13,15-17H2/p+2/t21-/m1/s1