N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C22H29N3O3+2 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C22H27N3O3/c26-22(23-19-7-8-20-21(15-19)28-14-4-13-27-20)17-25-11-9-24(10-12-25)16-18-5-2-1-3-6-18/h1-3,5-8,15H,4,9-14,16-17H2,(H,23,26)/p+2