(3R)-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24ClN3O3/c1-2-24-9-11-25(12-10-24)17-8-7-15(22)13-16(17)23-21(26)20-14-27-18-5-3-4-6-19(18)28-20/h3-8,13,20H,2,9-12,14H2,1H3,(H,23,26)/p+1/t20-/m1/s1