2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C26H38N4O3+2 MolecularWeight: 454.60492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C26H36N4O3/c1-32-23-17-22(18-24(19-23)33-2)7-6-21-8-11-28(12-9-21)20-26(31)30-15-13-29(14-16-30)25-5-3-4-10-27-25/h3-5,10,17-19,21H,6-9,11-16,20H2,1-2H3/p+2