N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C25H25N3O3S/c29-24(23-5-2-14-32-23)26-21-4-1-3-20(16-21)25(30)28-11-9-27(10-12-28)17-18-6-7-22-19(15-18)8-13-31-22/h1-7,14-16H,8-13,17H2,(H,26,29)/p+1