1-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyrimidine-2,4-dione

Systemtic Name: 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyrimidine-2,4-dione Openeye Name: 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]pyrimidine-2,4-dione CAS Name: 1-[2-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]pyrimidine-2,4-dione Traditional Name: 1-[2-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]pyrimidine-2,4-quinone Formula: C17H20ClN4O3+ MolecularWeight: 363.8187

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)CN3C=CC(=O)NC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)CN3C=CC(=O)NC3=O

InChI

InChI=1S/C17H19ClN4O3/c18-14-3-1-13(2-4-14)11-20-7-9-21(10-8-20)16(24)12-22-6-5-15(23)19-17(22)25/h1-6H,7-12H2,(H,19,23,25)/p+1