3-bromanyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Openeye Name: 3-bromo-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]benzamide CAS Name: 3-bromo-N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]benzamide IUPAC Name: 3-bromo-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Traditional Name: 3-bromo-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]benzamide Formula: C21H28BrN3O+2 MolecularWeight: 418.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)Br)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)Br)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C21H26BrN3O/c1-16-6-8-17(9-7-16)20(25-12-10-24(2)11-13-25)15-23-21(26)18-4-3-5-19(22)14-18/h3-9,14,20H,10-13,15H2,1-2H3,(H,23,26)/p+2/t20-/m0/s1