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

Systemtic Name: 1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]pyrimidine-2,4-dione Openeye Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]pyrimidine-2,4-dione CAS Name: 1-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]pyrimidine-2,4-dione IUPAC Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]pyrimidine-2,4-dione Traditional Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]pyrimidine-2,4-quinone Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3/c22-15-6-7-21(17(24)18-15)13-16(23)20-10-8-19(9-11-20)12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,18,22,24)/p+1