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

Systemtic Name: 2-ethoxy-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 2-ethoxy-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]-2-oxo-ethyl]benzamide CAS Name: 2-ethoxy-N-[2-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-2-oxoethyl]benzamide IUPAC Name: 2-ethoxy-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxoethyl]benzamide Traditional Name: 2-ethoxy-N-[2-keto-2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]ethyl]benzamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N5O3/c1-3-29-18-7-5-4-6-17(18)21(28)23-15-20(27)24-16-8-9-19(22-14-16)26-12-10-25(2)11-13-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,28)(H,24,27)/p+1