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

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C([NH+]=C2N3CCN(CC3)CC4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)N=C([NH+]=C2N3CCN(CC3)CC4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6

InChI

InChI=1S/C26H28N4O2/c1-2-5-20(6-3-1)25-27-22-8-4-7-21(22)26(28-25)30-13-11-29(12-14-30)18-19-9-10-23-24(17-19)32-16-15-31-23/h1-3,5-6,9-10,17H,4,7-8,11-16,18H2/p+1