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

Systemtic Name: 4-tert-butyl-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]-2-oxo-ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-2-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxoethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-keto-2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]ethyl]benzamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H31N5O2/c1-23(2,3)18-7-5-17(6-8-18)22(30)25-16-21(29)26-19-9-10-20(24-15-19)28-13-11-27(4)12-14-28/h5-10,15H,11-14,16H2,1-4H3,(H,25,30)(H,26,29)/p+1