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

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(piazthiol-5-ylmethyl)-(3-pyridylmethyl)ammonium Formula: C24H33N5S+2 MolecularWeight: 423.61732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CC4=NSN=C4C=C3)CC5=CN=CC=C5

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CC4=NSN=C4C=C3)CC5=CN=CC=C5

InChI

InChI=1S/C24H31N5S/c1-2-6-22(5-1)29-12-9-19(10-13-29)16-28(18-21-4-3-11-25-15-21)17-20-7-8-23-24(14-20)27-30-26-23/h3-4,7-8,11,14-15,19,22H,1-2,5-6,9-10,12-13,16-18H2/p+2