1-(2-ethylbutyl)-4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: 1-(2-ethylbutyl)-4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-(2-ethylbutyl)-4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-(2-ethylbutyl)-4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-(2-ethylbutyl)-4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 1-(2-ethylbutyl)-4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C[NH+]1CCC(CC1)C2=C(C=NN2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC(CC)C[NH+]1CCC(CC1)C2=C(C=NN2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H31N3O/c1-4-16(5-2)15-24-11-9-17(10-12-24)21-20(14-22-23-21)18-7-6-8-19(13-18)25-3/h6-8,13-14,16-17H,4-5,9-12,15H2,1-3H3,(H,22,23)/p+1