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

Systemtic Name: 4-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium Openeye Name: 4-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium CAS Name: 4-[4-(1,3-benzodioxol-4-ylmethyl)-1-piperazinyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium IUPAC Name: 4-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium Traditional Name: 4-[4-(1,3-benzodioxol-4-ylmethyl)piperazino]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-ium Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C([NH+]=C2N3CCN(CC3)CC4=C5C(=CC=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)N=C([NH+]=C2N3CCN(CC3)CC4=C5C(=CC=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C25H26N4O2/c1-2-6-18(7-3-1)24-26-21-10-5-9-20(21)25(27-24)29-14-12-28(13-15-29)16-19-8-4-11-22-23(19)31-17-30-22/h1-4,6-8,11H,5,9-10,12-17H2/p+1