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

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 1-benzyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione CAS Name: 3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 1-benzyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione Traditional Name: 1-benzyl-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]pyrimidine-2,4-quinone Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3/c28-20-9-11-26(16-18-6-2-1-3-7-18)22(30)27(20)17-21(29)25-14-12-24(13-15-25)19-8-4-5-10-23-19/h1-11H,12-17H2/p+1