1-[4-(4-chlorophenyl)-4-methyl-3-oxidanylidene-piperazin-4-ium-2-yl]-2-pyrrolidin-1-yl-ethane-1,2-dione

Systemtic Name: 1-[4-(4-chlorophenyl)-4-methyl-3-oxidanylidene-piperazin-4-ium-2-yl]-2-pyrrolidin-1-yl-ethane-1,2-dione Openeye Name: 1-[4-(4-chlorophenyl)-4-methyl-3-oxo-piperazin-4-ium-2-yl]-2-pyrrolidin-1-yl-ethane-1,2-dione CAS Name: 1-[4-(4-chlorophenyl)-4-methyl-3-oxo-2-piperazin-4-iumyl]-2-(1-pyrrolidinyl)ethane-1,2-dione IUPAC Name: 1-[4-(4-chlorophenyl)-4-methyl-3-oxopiperazin-4-ium-2-yl]-2-pyrrolidin-1-ylethane-1,2-dione Traditional Name: 1-[4-(4-chlorophenyl)-3-keto-4-methyl-piperazin-4-ium-2-yl]-2-pyrrolidino-ethane-1,2-dione Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNC(C1=O)C(=O)C(=O)N2CCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[N+]1(CCNC(C1=O)C(=O)C(=O)N2CCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN3O3/c1-21(13-6-4-12(18)5-7-13)11-8-19-14(17(21)24)15(22)16(23)20-9-2-3-10-20/h4-7,14,19H,2-3,8-11H2,1H3/q+1