6-(4-chlorophenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(4-chlorophenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(4-chlorophenyl)-1H-pyrimidin-4-one CAS Name: 6-(4-chlorophenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(4-chlorophenyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(4-chlorophenyl)-1H-pyrimidin-4-one Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O/c22-18-8-6-17(7-9-18)19-14-20(27)24-21(23-19)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,23,24,27)/p+1