4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine

Systemtic Name: 4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine Openeye Name: 4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine CAS Name: 4-(4-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-6-phenylpyrimidine IUPAC Name: 4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenylpyrimidine Traditional Name: 4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c1-25-12-14-26(15-13-25)22-23-20(17-6-4-3-5-7-17)16-21(24-22)18-8-10-19(27-2)11-9-18/h3-11,16H,12-15H2,1-2H3/p+1