2-(3,4-dichlorophenyl)-1-[4-ethanoyl-1-[(3-oxidanylpyrrolidin-1-yl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 2-(3,4-dichlorophenyl)-1-[4-ethanoyl-1-[(3-oxidanylpyrrolidin-1-yl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-acetyl-1-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-ium-1-yl]-2-(3,4-dichlorophenyl)ethanone CAS Name: 1-[4-acetyl-1-[(3-hydroxy-1-pyrrolidinyl)methyl]-1-piperazin-1-iumyl]-2-(3,4-dichlorophenyl)ethanone IUPAC Name: 1-[4-acetyl-1-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-ium-1-yl]-2-(3,4-dichlorophenyl)ethanone Traditional Name: 1-[4-acetyl-1-[(3-hydroxypyrrolidino)methyl]piperazin-1-ium-1-yl]-2-(3,4-dichlorophenyl)ethanone Formula: C19H26Cl2N3O3+ MolecularWeight: 415.33404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](CC1)(CN2CCC(C2)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)N1CC[N+](CC1)(CN2CCC(C2)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H26Cl2N3O3/c1-14(25)23-6-8-24(9-7-23,13-22-5-4-16(26)12-22)19(27)11-15-2-3-17(20)18(21)10-15/h2-3,10,16,26H,4-9,11-13H2,1H3/q+1