2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)acetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-15(2)23(16(3)4)20(24)14-21-9-11-22(12-10-21)27(25,26)19-8-7-17(5)13-18(19)6/h7-8,13,15-16H,9-12,14H2,1-6H3/p+1