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

Systemtic Name: N-[4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]phenyl]ethanamide Openeye Name: N-[4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]phenyl]acetamide CAS Name: N-[4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]phenyl]acetamide Traditional Name: N-[4-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]phenyl]acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H27N3O3/c1-17(27)24-21-5-2-18(3-6-21)15-23(28)26-11-9-25(10-12-26)16-19-4-7-22-20(14-19)8-13-29-22/h2-7,14H,8-13,15-16H2,1H3,(H,24,27)/p+1