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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C18H24BrN3OS+2 MolecularWeight: 410.37166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3)Br

InChI

InChI=1S/C18H22BrN3OS/c1-14-4-5-17(16(19)11-14)20-18(23)13-22-8-6-21(7-9-22)12-15-3-2-10-24-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,23)/p+2