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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23BrN3OS+ MolecularWeight: 409.36372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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