4-tert-butyl-N-[3-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxo-propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[2-(4-methyl-1-piperazin-4-iumyl)anilino]-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-[2-(4-methylpiperazin-4-ium-1-yl)anilino]propyl]benzamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C

InChI

InChI=1S/C25H34N4O2/c1-25(2,3)20-11-9-19(10-12-20)24(31)26-14-13-23(30)27-21-7-5-6-8-22(21)29-17-15-28(4)16-18-29/h5-12H,13-18H2,1-4H3,(H,26,31)(H,27,30)/p+1