2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Systemtic Name: 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Openeye Name: 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine CAS Name: 2-phenyl-4-[4-[[3-(1-pyrazolyl)phenyl]methyl]-1-piperazin-4-iumyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine IUPAC Name: 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Traditional Name: 2-phenyl-4-[4-(3-pyrazol-1-ylbenzyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Formula: C27H29N6+ MolecularWeight: 437.55936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC(=CC=C4)N5C=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC(=CC=C4)N5C=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N6/c1-2-8-22(9-3-1)26-29-25-12-5-11-24(25)27(30-26)32-17-15-31(16-18-32)20-21-7-4-10-23(19-21)33-14-6-13-28-33/h1-4,6-10,13-14,19H,5,11-12,15-18,20H2/p+1