(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C26H43N5+2 MolecularWeight: 425.65312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C26H41N5/c1-20(2)31-22(4)26(21(3)28-31)19-29(18-24-8-7-13-27-16-24)17-23-11-14-30(15-12-23)25-9-5-6-10-25/h7-8,13,16,20,23,25H,5-6,9-12,14-15,17-19H2,1-4H3/p+2