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

Systemtic Name: 4-bromanyl-N-[3-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]propyl]benzamide Formula: C22H28BrN4O2+ MolecularWeight: 460.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN4O2/c1-16-15-19(27-13-11-26(2)12-14-27)7-8-20(16)25-21(28)9-10-24-22(29)17-3-5-18(23)6-4-17/h3-8,15H,9-14H2,1-2H3,(H,24,29)(H,25,28)/p+1