N-butyl-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

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