2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C20H28N4O4+2 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O4/c1-26-16-12-15(13-17(27-2)20(16)28-3)22-19(25)14-23-8-10-24(11-9-23)18-6-4-5-7-21-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,25)/p+2