4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Systemtic Name: 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Openeye Name: 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine CAS Name: 4-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine IUPAC Name: 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Traditional Name: 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Formula: C22H27N6+ MolecularWeight: 375.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

InChI

InChI=1S/C22H26N6/c1-26-15-17(14-23-26)16-27-10-12-28(13-11-27)22-19-8-5-9-20(19)24-21(25-22)18-6-3-2-4-7-18/h2-4,6-7,14-15H,5,8-13,16H2,1H3/p+1