3,5-dimethoxy-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3,5-dimethoxy-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]-2-oxo-ethyl]benzamide CAS Name: 3,5-dimethoxy-N-[2-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-2-oxoethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]ethyl]-3,5-dimethoxy-benzamide Formula: C21H28N5O4+ MolecularWeight: 414.47812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H27N5O4/c1-25-6-8-26(9-7-25)19-5-4-16(13-22-19)24-20(27)14-23-21(28)15-10-17(29-2)12-18(11-15)30-3/h4-5,10-13H,6-9,14H2,1-3H3,(H,23,28)(H,24,27)/p+1