2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H23N5O/c23-17(21-9-3-4-10-21)13-20-11-7-14(8-12-20)22-16-6-2-1-5-15(16)18-19-22/h1-2,5-6,14H,3-4,7-13H2/p+1