N-tert-butyl-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C17H32N5O3S+ MolecularWeight: 386.53268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C17H31N5O3S/c1-13-16(14(2)20(6)19-13)26(24,25)22-9-7-8-21(10-11-22)12-15(23)18-17(3,4)5/h7-12H2,1-6H3,(H,18,23)/p+1