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

Systemtic Name: (3S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: benzofurazan-5-ylmethyl-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NCC3=CC4=NON=C4C=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NCC3=CC4=NON=C4C=C3

InChI

InChI=1S/C18H21N5O/c1-2-8-19-15(4-1)12-23-9-3-5-16(13-23)20-11-14-6-7-17-18(10-14)22-24-21-17/h1-2,4,6-8,10,16,20H,3,5,9,11-13H2/p+1/t16-/m0/s1