[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(benzofurazan-4-ylmethyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)CC3=CC=CC4=NON=C43

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C20H25N5O/c1-2-25(13-16-8-10-21-11-9-16)18-6-4-12-24(15-18)14-17-5-3-7-19-20(17)23-26-22-19/h3,5,7-11,18H,2,4,6,12-15H2,1H3/p+1/t18-/m0/s1