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

Systemtic Name: 1-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c28-23-2-1-10-27(23)21-6-4-19(5-7-21)24(29)26-13-11-25(12-14-26)17-18-3-8-22-20(16-18)9-15-30-22/h3-8,16H,1-2,9-15,17H2/p+1