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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5)OC1

InChI

InChI=1S/C24H29N3O4/c28-24(25-20-3-5-22-23(15-20)30-12-1-11-29-22)17-27-9-7-26(8-10-27)16-18-2-4-21-19(14-18)6-13-31-21/h2-5,14-15H,1,6-13,16-17H2,(H,25,28)/p+1