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

Systemtic Name: 4-[4-(1H-imidazol-3-ium-2-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium Openeye Name: 4-[4-(1H-imidazol-3-ium-2-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium CAS Name: 4-[4-(1H-imidazol-3-ium-2-ylmethyl)-1-piperazinyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium IUPAC Name: 4-[4-(1H-imidazol-3-ium-2-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium Traditional Name: 4-[4-(1H-imidazol-3-ium-2-ylmethyl)piperazino]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium Formula: C21H26N6+2 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C([NH+]=C2N3CCN(CC3)CC4=[NH+]C=CN4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)N=C([NH+]=C2N3CCN(CC3)CC4=[NH+]C=CN4)C5=CC=CC=C5

InChI

InChI=1S/C21H24N6/c1-2-5-16(6-3-1)20-24-18-8-4-7-17(18)21(25-20)27-13-11-26(12-14-27)15-19-22-9-10-23-19/h1-3,5-6,9-10H,4,7-8,11-15H2,(H,22,23)/p+2