2,1,3-benzothiadiazol-5-ylmethyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-(piazthiol-5-ylmethyl)ammonium Formula: C22H30N4O2S+2 MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH2+]CC3=CC4=NSN=C4C=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH2+]CC3=CC4=NSN=C4C=C3)O

InChI

InChI=1S/C22H28N4O2S/c27-19(15-26-10-4-1-5-11-26)16-28-22-7-3-2-6-18(22)14-23-13-17-8-9-20-21(12-17)25-29-24-20/h2-3,6-9,12,19,23,27H,1,4-5,10-11,13-16H2/p+2/t19-/m0/s1