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

Systemtic Name: 5-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoquinoline Openeye Name: 5-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoquinoline CAS Name: 5-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-piperazin-1-iumyl]methyl]isoquinoline IUPAC Name: 5-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoquinoline Traditional Name: 5-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]isoquinoline Formula: C27H28N5+ MolecularWeight: 422.54472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC=CC5=C4C=CN=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC=CC5=C4C=CN=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H27N5/c1-2-6-20(7-3-1)26-29-25-11-5-10-24(25)27(30-26)32-16-14-31(15-17-32)19-22-9-4-8-21-18-28-13-12-23(21)22/h1-4,6-9,12-13,18H,5,10-11,14-17,19H2/p+1