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

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-o-phenetylpiperazin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H33N5O2+2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H31N5O2/c1-2-30-21-8-4-3-7-20(21)26-13-11-25(12-14-26)19-23(29)28-17-15-27(16-18-28)22-9-5-6-10-24-22/h3-10H,2,11-19H2,1H3/p+2