3,4,5-trimethoxy-N-[2-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[2-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[2-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]benzamide CAS Name: 3,4,5-trimethoxy-N-[2-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[2-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[2-(4-methylpiperazino)pyridin-1-ium-3-yl]benzamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=[NH+]2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=[NH+]2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H26N4O4/c1-23-8-10-24(11-9-23)19-15(6-5-7-21-19)22-20(25)14-12-16(26-2)18(28-4)17(13-14)27-3/h5-7,12-13H,8-11H2,1-4H3,(H,22,25)/p+1