N-(3-bromanyl-4-methyl-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-bromo-4-methyl-phenyl)acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-bromo-4-methylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-bromo-4-methyl-phenyl)acetamide Formula: C20H26BrN3O+2 MolecularWeight: 404.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H24BrN3O/c1-16-7-8-18(13-19(16)21)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+2