[2-[1-(3,4-dichlorophenyl)ethyl]-4,5-dimethyl-pyrazol-3-yl] 1-ethylpiperidin-1-ium-1-carboxylate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethyl]-4,5-dimethyl-pyrazol-3-yl] 1-ethylpiperidin-1-ium-1-carboxylate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethyl]-4,5-dimethyl-pyrazol-3-yl] 1-ethylpiperidin-1-ium-1-carboxylate CAS Name: 1-ethyl-1-piperidin-1-iumcarboxylic acid [2-[1-(3,4-dichlorophenyl)ethyl]-4,5-dimethyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethyl]-4,5-dimethylpyrazol-3-yl] 1-ethylpiperidin-1-ium-1-carboxylate Traditional Name: 1-ethylpiperidin-1-ium-1-carboxylic acid [2-[1-(3,4-dichlorophenyl)ethyl]-4,5-dimethyl-pyrazol-3-yl] ester Formula: C21H28Cl2N3O2+ MolecularWeight: 425.37192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)C(=O)OC2=C(C(=NN2C(C)C3=CC(=C(C=C3)Cl)Cl)C)C

Isomeric SMILES

CC[N+]1(CCCCC1)C(=O)OC2=C(C(=NN2C(C)C3=CC(=C(C=C3)Cl)Cl)C)C

InChI

InChI=1S/C21H28Cl2N3O2/c1-5-26(11-7-6-8-12-26)21(27)28-20-14(2)15(3)24-25(20)16(4)17-9-10-18(22)19(23)13-17/h9-10,13,16H,5-8,11-12H2,1-4H3/q+1