1-[[3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c28-23-10-5-11-27(23)19-20-6-4-7-21(18-20)24(29)26-14-12-25(13-15-26)16-17-30-22-8-2-1-3-9-22/h1-4,6-9,18H,5,10-17,19H2/p+1