7-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-piperonylamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCO4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCO4)C

InChI

InChI=1S/C21H24ClN3O3/c1-3-24-6-8-25(9-7-24)16-4-5-18(14(2)10-16)23-21(26)15-11-17(22)20-19(12-15)27-13-28-20/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,23,26)/p+1