[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-thiophen-2-yl-methanone

Systemtic Name: [2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-thiophen-2-yl-methanone Openeye Name: [2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-(2-thienyl)methanone CAS Name: [2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: [2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-thiophen-2-ylmethanone Traditional Name: [2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-(2-thienyl)methanone Formula: C25H25N2O3S+ MolecularWeight: 433.5426

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CS5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CS5

InChI

InChI=1S/C25H24N2O3S/c28-24(23-6-3-15-31-23)20-4-1-2-5-21(20)25(29)27-12-10-26(11-13-27)17-18-7-8-22-19(16-18)9-14-30-22/h1-8,15-16H,9-14,17H2/p+1