N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzofuran-2-carboxamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]coumarilamide Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-2-24-9-11-25(12-10-24)18-8-7-16(14-17(18)22)23-21(26)20-13-15-5-3-4-6-19(15)27-20/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)/p+1