2-(benzotriazol-2-yl)-1-[4-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-2-yl)-1-[4-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 2-(benzotriazol-2-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 2-(2-benzotriazolyl)-1-[4-[(3S)-3-hydroxy-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 2-(benzotriazol-2-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 2-(benzotriazol-2-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-ium-1-yl]piperidino]ethanone Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)CN3N=C4C=CC=CC4=N3)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)CN3N=C4C=CC=CC4=N3)O

InChI

InChI=1S/C18H25N5O2/c24-15-4-3-9-22(12-15)14-7-10-21(11-8-14)18(25)13-23-19-16-5-1-2-6-17(16)20-23/h1-2,5-6,14-15,24H,3-4,7-13H2/p+1/t15-/m0/s1