[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: (4-p-anisylpiperazin-4-ium-1-yl)-(4-pyrazol-1-ylphenyl)methanone Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H24N4O2/c1-28-21-9-3-18(4-10-21)17-24-13-15-25(16-14-24)22(27)19-5-7-20(8-6-19)26-12-2-11-23-26/h2-12H,13-17H2,1H3/p+1