(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(4-fluorophenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(benzofurazan-5-ylmethyl)piperidin-1-ium-3-yl]-(4-fluorophenyl)amine Formula: C18H20FN4O+ MolecularWeight: 327.376003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O/c19-14-4-6-15(7-5-14)20-16-2-1-9-23(12-16)11-13-3-8-17-18(10-13)22-24-21-17/h3-8,10,16,20H,1-2,9,11-12H2/p+1/t16-/m0/s1