[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: (4-p-anisylpiperazin-4-ium-1-yl)-[3-(2-pyrimidylamino)phenyl]methanone Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C23H25N5O2/c1-30-21-8-6-18(7-9-21)17-27-12-14-28(15-13-27)22(29)19-4-2-5-20(16-19)26-23-24-10-3-11-25-23/h2-11,16H,12-15,17H2,1H3,(H,24,25,26)/p+1