(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3-fluorophenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3-fluorophenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3-fluorophenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3-fluorophenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-N-(3-fluorophenyl)piperidin-1-ium-3-amine Traditional Name: (3-fluorophenyl)-[(3S)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-3-yl]amine Formula: C18H20FN4S+ MolecularWeight: 343.441603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NSN=C3C=C2)NC4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=NSN=C3C=C2)NC4=CC(=CC=C4)F

InChI

InChI=1S/C18H19FN4S/c19-14-3-1-4-15(10-14)20-16-5-2-8-23(12-16)11-13-6-7-17-18(9-13)22-24-21-17/h1,3-4,6-7,9-10,16,20H,2,5,8,11-12H2/p+1/t16-/m0/s1