3-bromanyl-2,5-dimethoxy-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 3-bromanyl-2,5-dimethoxy-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 3-bromo-2,5-dimethoxy-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 3-bromo-2,5-dimethoxy-N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 3-bromo-2,5-dimethoxy-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 3-bromo-2,5-dimethoxy-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C21H27BrN3O3+ MolecularWeight: 449.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2OC)Br)OC)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2OC)Br)OC)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H26BrN3O3/c1-14-11-15(5-6-19(14)25-9-7-24(2)8-10-25)23-21(26)17-12-16(27-3)13-18(22)20(17)28-4/h5-6,11-13H,7-10H2,1-4H3,(H,23,26)/p+1