N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4)Cl)OC1

InChI

InChI=1S/C21H25ClN4O3/c22-17-12-19-20(29-11-3-10-28-19)13-18(17)24-21(27)15-26-8-6-25(7-9-26)14-16-4-1-2-5-23-16/h1-2,4-5,12-13H,3,6-11,14-15H2,(H,24,27)/p+1