1-[4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]phenyl]-2-pyrrolidone Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H29N3O3/c29-23(20-4-6-22(7-5-20)28-10-1-2-25(28)30)18-27-13-11-26(12-14-27)17-19-3-8-24-21(16-19)9-15-31-24/h3-8,16H,1-2,9-15,17-18H2/p+1