N-(3-bromanyl-4-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C14H22BrN3O+2 MolecularWeight: 328.24798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)C)Br

InChI

InChI=1S/C14H20BrN3O/c1-11-3-4-12(9-13(11)15)16-14(19)10-18-7-5-17(2)6-8-18/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)/p+2