N-tert-butyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2-indan-5-yloxyacetyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)-1-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2-indan-5-yloxyacetyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)COC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)COC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H33N3O3/c1-22(2,3)23-20(26)15-24-10-5-11-25(13-12-24)21(27)16-28-19-9-8-17-6-4-7-18(17)14-19/h8-9,14H,4-7,10-13,15-16H2,1-3H3,(H,23,26)/p+1