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

Systemtic Name: 2-phenyl-4-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Openeye Name: 2-phenyl-4-[4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine CAS Name: 2-phenyl-4-[4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1-piperazin-4-iumyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine IUPAC Name: 2-phenyl-4-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Traditional Name: 2-phenyl-4-[4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]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=CN4C5=CC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5)C6=CC=CC=C6

InChI

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