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

Systemtic Name: 2-chloranyl-4-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-chloro-4-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-chloro-4-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-chloro-4-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-chloro-4-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]phenol Formula: C24H26ClN4O+ MolecularWeight: 421.94244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC(=C(C=C4)O)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC(=C(C=C4)O)Cl)C5=CC=CC=C5

InChI

InChI=1S/C24H25ClN4O/c25-20-15-17(9-10-22(20)30)16-28-11-13-29(14-12-28)24-19-7-4-8-21(19)26-23(27-24)18-5-2-1-3-6-18/h1-3,5-6,9-10,15,30H,4,7-8,11-14,16H2/p+1