ethyl 4-[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C25H34N5O2+ MolecularWeight: 436.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H33N5O2/c1-2-32-25(31)30-13-11-20(12-14-30)28-15-17-29(18-16-28)24-21-9-6-10-22(21)26-23(27-24)19-7-4-3-5-8-19/h3-5,7-8,20H,2,6,9-18H2,1H3/p+1