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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27N3O4/c1-27-19-6-4-18(5-7-19)25-11-9-24(10-12-25)16-22(26)23-17-3-8-20-21(15-17)29-14-2-13-28-20/h3-8,15H,2,9-14,16H2,1H3,(H,23,26)/p+1