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

Systemtic Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl-[(1-phenyl-4-pyrazolyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]-(4-pyridylmethyl)ammonium Formula: C25H35N5O+2 MolecularWeight: 421.5783

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N5O/c1-31-16-15-28-13-9-23(10-14-28)19-29(18-22-7-11-26-12-8-22)20-24-17-27-30(21-24)25-5-3-2-4-6-25/h2-8,11-12,17,21,23H,9-10,13-16,18-20H2,1H3/p+2