[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyridylmethyl)-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-(3-pyridinylmethyl)-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyridylmethyl)-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C28H39N5+2 MolecularWeight: 445.64276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C28H37N5/c1-2-11-26(12-3-1)32-17-7-10-25(22-32)21-31(20-24-9-6-15-29-19-24)23-27-13-8-18-33(27)28-14-4-5-16-30-28/h4-6,8-9,13-16,18-19,25-26H,1-3,7,10-12,17,20-23H2/p+2/t25-/m1/s1