N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]ethanamide

Systemtic Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]acetamide CAS Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]acetamide Traditional Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]ethyl]acetamide Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S/c1-14(21)18-5-6-19-7-9-20(10-8-19)26(22,23)15-3-4-16-17(13-15)25-12-2-11-24-16/h3-4,13H,2,5-12H2,1H3,(H,18,21)/p+1