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

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-(piazthiol-5-ylmethyl)-(4-pyridylmethyl)ammonium Formula: C22H31N5OS+2 MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C22H29N5OS/c1-28-13-12-26-10-6-19(7-11-26)16-27(15-18-4-8-23-9-5-18)17-20-2-3-21-22(14-20)25-29-24-21/h2-5,8-9,14,19H,6-7,10-13,15-17H2,1H3/p+2