N-tert-butyl-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CN3CCC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CN3CCC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C20H30N4O2S/c1-15-16(21-19(26-15)17-7-5-12-27-17)13-23-8-6-9-24(11-10-23)14-18(25)22-20(2,3)4/h5,7,12H,6,8-11,13-14H2,1-4H3,(H,22,25)/p+1