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

Systemtic Name: 2-phenyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Openeye Name: 2-phenyl-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine CAS Name: 2-phenyl-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine IUPAC Name: 2-phenyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Traditional Name: 2-phenyl-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Formula: C23H26N5+ MolecularWeight: 372.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5/c1-2-7-19(8-3-1)22-25-21-10-4-9-20(21)23(26-22)28-14-12-27(13-15-28)17-18-6-5-11-24-16-18/h1-3,5-8,11,16H,4,9-10,12-15,17H2/p+1