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

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-methyl-ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-methylammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]-methylazanium Traditional Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-methyl-(piazthiol-5-ylmethyl)ammonium Formula: C23H32N4O2S+2 MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=NSN=C2C=C1)CC3=CC=CC=C3OCC(C[NH+]4CCCCC4)O

Isomeric SMILES

C[NH+](CC1=CC2=NSN=C2C=C1)CC3=CC=CC=C3OC[C@@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C23H30N4O2S/c1-26(14-18-9-10-21-22(13-18)25-30-24-21)15-19-7-3-4-8-23(19)29-17-20(28)16-27-11-5-2-6-12-27/h3-4,7-10,13,20,28H,2,5-6,11-12,14-17H2,1H3/p+2/t20-/m1/s1