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

Systemtic Name: 3,4,5-trimethoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzamide Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H28N4O4/c1-27-17-14-16(15-18(28-2)20(17)29-3)21(26)23-8-9-24-10-12-25(13-11-24)19-6-4-5-7-22-19/h4-7,14-15H,8-13H2,1-3H3,(H,23,26)/p+1