N-[(2R)-6-methylheptan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2R)-6-methylheptan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1,5-dimethylhexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2R)-6-methylheptan-2-yl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2R)-6-methylheptan-2-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1,5-dimethylhexyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H](C)CCCC(C)C

InChI

InChI=1S/C21H35N3O3S/c1-17(2)6-5-7-19(4)22-21(25)16-23-12-14-24(15-13-23)28(26,27)20-10-8-18(3)9-11-20/h8-11,17,19H,5-7,12-16H2,1-4H3,(H,22,25)/p+1/t19-/m1/s1