5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]-2,1,3-benzoxadiazole

Systemtic Name: 5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]-2,1,3-benzoxadiazole Openeye Name: 5-[[(3S)-3-pyrrolidin-1-ium-1-yl-1-piperidyl]methyl]-2,1,3-benzoxadiazole CAS Name: 5-[[(3S)-3-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]-2,1,3-benzoxadiazole IUPAC Name: 5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]-2,1,3-benzoxadiazole Traditional Name: 5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidino]methyl]benzofurazan Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCCN(C2)CC3=CC4=NON=C4C=C3

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CCCN(C2)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C16H22N4O/c1-2-9-20(8-1)14-4-3-7-19(12-14)11-13-5-6-15-16(10-13)18-21-17-15/h5-6,10,14H,1-4,7-9,11-12H2/p+1/t14-/m0/s1