N-(3-propan-2-yloxypropyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-propan-2-yloxypropyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-isopropoxypropyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-propan-2-yloxypropyl)-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-propan-2-yloxypropyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-isopropoxypropyl)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H36N3O4S+ MolecularWeight: 426.59324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCOC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCOC(C)C)C

InChI

InChI=1S/C21H35N3O4S/c1-16(2)28-12-6-7-22-20(25)15-23-8-10-24(11-9-23)29(26,27)21-18(4)13-17(3)14-19(21)5/h13-14,16H,6-12,15H2,1-5H3,(H,22,25)/p+1