N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dibromo-4-methyl-phenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dibromo-4-methylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dibromo-4-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dibromo-4-methyl-phenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22Br2N3OS+ MolecularWeight: 488.25978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Br2N3OS/c1-13-8-15(19)18(16(20)9-13)21-17(24)11-23-5-3-22(4-6-23)10-14-2-7-25-12-14/h2,7-9,12H,3-6,10-11H2,1H3,(H,21,24)/p+1