N-(2-bromanyl-4-methyl-phenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C22H27BrN3O3S+ MolecularWeight: 493.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-16-5-8-21(20(23)13-16)24-22(27)15-25-9-11-26(12-10-25)30(28,29)19-7-6-17-3-2-4-18(17)14-19/h5-8,13-14H,2-4,9-12,15H2,1H3,(H,24,27)/p+1