1-(4-chlorophenyl)-1-methyl-4-pentanoyl-6-pyrrolidin-1-yl-piperazin-1-ium-2,3-dione

Systemtic Name: 1-(4-chlorophenyl)-1-methyl-4-pentanoyl-6-pyrrolidin-1-yl-piperazin-1-ium-2,3-dione Openeye Name: 1-(4-chlorophenyl)-1-methyl-4-pentanoyl-6-pyrrolidin-1-yl-piperazin-1-ium-2,3-dione CAS Name: 1-(4-chlorophenyl)-1-methyl-4-(1-oxopentyl)-6-(1-pyrrolidinyl)piperazin-1-ium-2,3-dione IUPAC Name: 1-(4-chlorophenyl)-1-methyl-4-pentanoyl-6-pyrrolidin-1-ylpiperazin-1-ium-2,3-dione Traditional Name: 1-(4-chlorophenyl)-1-methyl-6-pyrrolidino-4-valeryl-piperazin-1-ium-2,3-quinone Formula: C20H27ClN3O3+ MolecularWeight: 392.89968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC([N+](C(=O)C1=O)(C)C2=CC=C(C=C2)Cl)N3CCCC3

Isomeric SMILES

CCCCC(=O)N1CC([N+](C(=O)C1=O)(C)C2=CC=C(C=C2)Cl)N3CCCC3

InChI

InChI=1S/C20H27ClN3O3/c1-3-4-7-18(25)23-14-17(22-12-5-6-13-22)24(2,20(27)19(23)26)16-10-8-15(21)9-11-16/h8-11,17H,3-7,12-14H2,1-2H3/q+1