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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,3-diazinane-2,4-dione Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]hexahydropyrimidine-2,4-dione CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1,3-diazinane-2,4-dione IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,3-diazinane-2,4-dione Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-5,6-dihydrouracil Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)N(C1=O)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CNC(=O)N(C1=O)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O3/c22-15-6-7-18-17(24)21(15)13-16(23)20-10-8-19(9-11-20)12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,18,24)/p+1