[(2R)-1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-[[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-3-methylbutan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methylbutan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-[[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium Formula: C20H35N4O3S+ MolecularWeight: 411.5819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCC(C(C)C)[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NC[C@@H](C(C)C)[NH+](C)C

InChI

InChI=1S/C20H34N4O3S/c1-15(2)18(22(5)6)14-21-20(25)23-9-11-24(12-10-23)28(26,27)19-13-16(3)7-8-17(19)4/h7-8,13,15,18H,9-12,14H2,1-6H3,(H,21,25)/p+1/t18-/m0/s1