[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-pyrazol-1-ylphenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-pyrazol-1-ylphenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-pyrazol-1-ylphenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[[4-(1-pyrazolyl)phenyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(4-pyrazol-1-ylphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(4-pyrazol-1-ylbenzyl)-(3-pyridylmethyl)ammonium Formula: C28H39N5+2 MolecularWeight: 445.64276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)C[NH+](CC3=CC=C(C=C3)N4C=CC=N4)CC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)C[NH+](CC3=CC=C(C=C3)N4C=CC=N4)CC5=CN=CC=C5

InChI

InChI=1S/C28H37N5/c1-2-9-27(10-3-1)32-17-5-8-26(23-32)22-31(21-25-7-4-15-29-19-25)20-24-11-13-28(14-12-24)33-18-6-16-30-33/h4,6-7,11-16,18-19,26-27H,1-3,5,8-10,17,20-23H2/p+2/t26-/m1/s1