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

Systemtic Name: 2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C20H25N4O5+ MolecularWeight: 401.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H24N4O5/c1-27-15-12-14(13-16(28-2)18(15)29-3)22-19(25)20(26)24-10-8-23(9-11-24)17-6-4-5-7-21-17/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)/p+1