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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C22H25N3O4/c26-21(23-18-7-8-19-20(15-18)29-14-4-13-28-19)16-24-9-11-25(12-10-24)22(27)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2,(H,23,26)/p+1