2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H31N5O2+2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H29N5O2/c1-29-20-6-4-5-19(17-20)25-11-9-24(10-12-25)18-22(28)27-15-13-26(14-16-27)21-7-2-3-8-23-21/h2-8,17H,9-16,18H2,1H3/p+2