1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(4-hydroxyphenyl)piperazino]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C21H29N5O2+2 MolecularWeight: 383.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H27N5O2/c27-19-6-4-18(5-7-19)24-13-15-26(16-14-24)21(28)17-23-9-11-25(12-10-23)20-3-1-2-8-22-20/h1-8,27H,9-17H2/p+2