N'-(4-bromanyl-3-methyl-phenyl)-N-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethyl]ethanediamide

Systemtic Name: N'-(4-bromanyl-3-methyl-phenyl)-N-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-(4-bromo-3-methyl-phenyl)-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-bromo-3-methylphenyl)-N-[2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-bromo-3-methylphenyl)-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(4-bromo-3-methyl-phenyl)-N-[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C20H24BrN4O3S+ MolecularWeight: 480.39856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=CS3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=CS3)Br

InChI

InChI=1S/C20H23BrN4O3S/c1-14-13-15(4-5-16(14)21)23-19(27)18(26)22-6-7-24-8-10-25(11-9-24)20(28)17-3-2-12-29-17/h2-5,12-13H,6-11H2,1H3,(H,22,26)(H,23,27)/p+1