1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-chloranyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-chloranyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-chloro-phenyl]pyrrolidin-2-one CAS Name: 1-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-chlorophenyl]-2-pyrrolidinone IUPAC Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one Traditional Name: 1-[5-chloro-2-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]-2-pyrrolidone Formula: C23H25ClN3O4+ MolecularWeight: 442.9153

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24ClN3O4/c24-17-4-5-18(19(13-17)27-7-1-2-22(27)28)23(29)26-10-8-25(9-11-26)14-16-3-6-20-21(12-16)31-15-30-20/h3-6,12-13H,1-2,7-11,14-15H2/p+1