1-(4-phenylpiperazin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-phenylpiperazino)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C22H29N5O/c28-22(27-16-14-26(15-17-27)21-7-2-1-3-8-21)19-25-12-10-24(11-13-25)18-20-6-4-5-9-23-20/h1-9H,10-19H2/p+1