2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H24ClN3O3/c1-24-6-8-25(9-7-24)17-4-2-16(3-5-17)23-20(26)14-15-12-18(22)21-19(13-15)27-10-11-28-21/h2-5,12-13H,6-11,14H2,1H3,(H,23,26)/p+1