N-tert-butyl-2-[4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C22H33N4O5+ MolecularWeight: 433.52122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCC[NH+](CC3)CC(=O)NC(C)(C)C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCC[NH+](CC3)CC(=O)NC(C)(C)C)OCO2

InChI

InChI=1S/C22H32N4O5/c1-15(27)16-10-18-19(31-14-30-18)11-17(16)23-20(28)12-25-6-5-7-26(9-8-25)13-21(29)24-22(2,3)4/h10-11H,5-9,12-14H2,1-4H3,(H,23,28)(H,24,29)/p+1