2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(1-ethyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Formula: C21H36N4O3S+2 MolecularWeight: 424.60054

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O3S/c1-4-23-9-7-19(8-10-23)22-21(26)16-24-11-13-25(14-12-24)29(27,28)20-6-5-17(2)18(3)15-20/h5-6,15,19H,4,7-14,16H2,1-3H3,(H,22,26)/p+2