N-[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24ClN3O3/c1-2-24-8-10-25(11-9-24)20-16(22)4-3-5-17(20)23-21(26)15-6-7-18-19(14-15)28-13-12-27-18/h3-7,14H,2,8-13H2,1H3,(H,23,26)/p+1