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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-piperazin-1-ium-1-yl-ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-piperazin-1-ium-1-yl-ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-(1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-piperazin-1-ium-1-ylethanone Traditional Name: 1-(4-benzylpiperazino)-2-piperazin-1-ium-1-yl-ethanone Formula: C17H27N4O+ MolecularWeight: 303.42248

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H26N4O/c22-17(15-19-8-6-18-7-9-19)21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-5,18H,6-15H2/p+1