N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-tert-butyl-2-[4-(1-piperidylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(1-piperidinylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-tert-butyl-2-(4-piperidinosulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C16H33N4O3S+ MolecularWeight: 361.52322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C16H32N4O3S/c1-16(2,3)17-15(21)14-18-8-7-11-20(13-12-18)24(22,23)19-9-5-4-6-10-19/h4-14H2,1-3H3,(H,17,21)/p+1