(1-ethylpyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (1-ethylpyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (1-ethylpyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (1-ethyl-4-pyrazolyl)methyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (1-ethylpyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (1-ethylpyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C21H35N5O+2 MolecularWeight: 373.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

Isomeric SMILES

CCN1C=C(C=N1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

InChI

InChI=1S/C21H33N5O/c1-3-26-18-21(14-23-26)17-25(15-19-4-8-22-9-5-19)16-20-6-10-24(11-7-20)12-13-27-2/h4-5,8-9,14,18,20H,3,6-7,10-13,15-17H2,1-2H3/p+2