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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H29N3O3/c29-24-5-2-9-28(24)18-19-3-1-4-22(16-19)25(30)27-12-10-26(11-13-27)17-20-6-7-23-21(15-20)8-14-31-23/h1,3-4,6-7,15-16H,2,5,8-14,17-18H2/p+1