(1-cyclopentylpiperidin-1-ium-4-yl)methyl-(pyridin-3-ylmethyl)-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(pyridin-3-ylmethyl)-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(3-pyridylmethyl)-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-(3-pyridinylmethyl)-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(pyridin-3-ylmethyl)-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(3-pyridylmethyl)-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C26H36N6+2 MolecularWeight: 432.60424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C26H34N6/c1-2-8-24(7-1)31-16-10-22(11-17-31)19-30(20-23-6-3-12-27-18-23)21-25-9-4-15-32(25)26-28-13-5-14-29-26/h3-6,9,12-15,18,22,24H,1-2,7-8,10-11,16-17,19-21H2/p+2