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

Systemtic Name: (3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-(benzofurazan-4-ylmethyl)piperidin-1-ium-3-yl]-phenyl-amine Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=NON=C32)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=NON=C32)NC4=CC=CC=C4

InChI

InChI=1S/C18H20N4O/c1-2-7-15(8-3-1)19-16-9-5-11-22(13-16)12-14-6-4-10-17-18(14)21-23-20-17/h1-4,6-8,10,16,19H,5,9,11-13H2/p+1/t16-/m0/s1