2-(4-phenylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-phenyl-1-piperazin-1-iumyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H29N5O+2 MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c27-21(26-16-14-25(15-17-26)20-8-4-5-9-22-20)18-23-10-12-24(13-11-23)19-6-2-1-3-7-19/h1-9H,10-18H2/p+2