(4R)-6-oxidanylidene-N-(4-phenoxyphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4,5-dihydro-1H-pyrimidine-4-carboxamide

Systemtic Name: (4R)-6-oxidanylidene-N-(4-phenoxyphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: (4R)-2-(4-benzylpiperazin-4-ium-1-yl)-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: (4R)-6-oxo-N-(4-phenoxyphenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: (4R)-2-(4-benzylpiperazin-4-ium-1-yl)-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: (4R)-2-(4-benzylpiperazin-4-ium-1-yl)-6-keto-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C28H30N5O3+ MolecularWeight: 484.5695

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(CC(=O)N3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=N[C@H](CC(=O)N3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3/c34-26-19-25(27(35)29-22-11-13-24(14-12-22)36-23-9-5-2-6-10-23)30-28(31-26)33-17-15-32(16-18-33)20-21-7-3-1-4-8-21/h1-14,25H,15-20H2,(H,29,35)(H,30,31,34)/p+1/t25-/m1/s1