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

Systemtic Name: N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thiophene-2-carboxamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O3S/c24-19(13-21-20(25)18-2-1-11-27-18)23-8-6-22(7-9-23)14-15-3-4-17-16(12-15)5-10-26-17/h1-4,11-12H,5-10,13-14H2,(H,21,25)/p+1