(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (5-carbethoxy-1H-pyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C22H35N5O3+2 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

InChI

InChI=1S/C22H33N5O3/c1-3-30-22(28)21-20(14-24-25-21)17-27(15-18-4-8-23-9-5-18)16-19-6-10-26(11-7-19)12-13-29-2/h4-5,8-9,14,19H,3,6-7,10-13,15-17H2,1-2H3,(H,24,25)/p+2