2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(1-ethyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Formula: C20H33BrN4O3S+2 MolecularWeight: 489.47002

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C20H31BrN4O3S/c1-3-23-8-6-17(7-9-23)22-20(26)15-24-10-12-25(13-11-24)29(27,28)18-4-5-19(21)16(2)14-18/h4-5,14,17H,3,6-13,15H2,1-2H3,(H,22,26)/p+2