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

Systemtic Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Openeye Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine CAS Name: 4-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine IUPAC Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Traditional Name: 4-(4-m-anisylpiperazin-4-ium-1-yl)-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O/c1-30-21-10-5-7-19(17-21)18-28-13-15-29(16-14-28)25-22-11-6-12-23(22)26-24(27-25)20-8-3-2-4-9-20/h2-5,7-10,17H,6,11-16,18H2,1H3/p+1