2-(benzotriazol-1-yloxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yloxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(1-benzotriazolyloxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CON3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CON3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H21N5O2/c25-19(15-26-24-18-9-5-4-8-17(18)20-21-24)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1