(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C25H41N5+2 MolecularWeight: 411.62654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H39N5/c1-20(2)14-23-15-24(28-27-23)19-29(18-22-6-5-11-26-16-22)17-21-9-12-30(13-10-21)25-7-3-4-8-25/h5-6,11,15-16,20-21,25H,3-4,7-10,12-14,17-19H2,1-2H3,(H,27,28)/p+2