3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 1-benzyl-3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]pyrimidine-2,4-dione CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 1-benzyl-3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]pyrimidine-2,4-dione Traditional Name: 1-benzyl-3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]pyrimidine-2,4-quinone Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c29-22-11-12-27(18-21-9-5-2-6-10-21)24(31)28(22)19-23(30)26-15-13-25(14-16-26)17-20-7-3-1-4-8-20/h1-12H,13-19H2/p+1