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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)C

InChI

InChI=1S/C25H39N5/c1-4-30-21(3)25(20(2)27-30)19-28(18-23-8-7-13-26-16-23)17-22-11-14-29(15-12-22)24-9-5-6-10-24/h7-8,13,16,22,24H,4-6,9-12,14-15,17-19H2,1-3H3/p+2