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

Systemtic Name: (4R)-6-oxidanylidene-N-phenyl-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-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: (4R)-6-oxo-N-phenyl-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-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: (4R)-2-(4-benzylpiperazin-4-ium-1-yl)-6-keto-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c28-20-15-19(21(29)23-18-9-5-2-6-10-18)24-22(25-20)27-13-11-26(12-14-27)16-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,23,29)(H,24,25,28)/p+1/t19-/m1/s1