ethyl 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetic acid ethyl ester Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCC(CC1)C2=CC(=NN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C[NH+]1CCC(CC1)C2=CC(=NN2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O2/c1-2-24-18(23)12-22-9-7-14(8-10-22)17-11-16(20-21-17)13-3-5-15(19)6-4-13/h3-6,11,14H,2,7-10,12H2,1H3,(H,20,21)/p+1