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

Systemtic Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]furan-2-carboxamide Openeye Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]furan-2-carboxamide CAS Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-2-furancarboxamide IUPAC Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]furan-2-carboxamide Traditional Name: N-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-2-furamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCNC(=O)C4=CC=CO4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCNC(=O)C4=CC=CO4

InChI

InChI=1S/C21H25N3O4/c25-20(5-7-22-21(26)19-2-1-12-27-19)24-10-8-23(9-11-24)15-16-3-4-18-17(14-16)6-13-28-18/h1-4,12,14H,5-11,13,15H2,(H,22,26)/p+1