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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=[NH+]C(=NC4=C3CCC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=[NH+]C(=NC4=C3CCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2/c1-32-26(31)21-12-10-19(11-13-21)18-29-14-16-30(17-15-29)25-22-8-5-9-23(22)27-24(28-25)20-6-3-2-4-7-20/h2-4,6-7,10-13H,5,8-9,14-18H2,1H3/p+1