N-tert-butyl-2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H34N3O5+ MolecularWeight: 432.53316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C23H33N3O5/c1-23(2,3)24-21(28)16-25-9-11-26(12-10-25)22(29)8-6-18(27)17-5-7-19-20(15-17)31-14-4-13-30-19/h5,7,15H,4,6,8-14,16H2,1-3H3,(H,24,28)/p+1