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

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethyl]-4,5-diphenyl-pyrazol-3-yl] 1-ethylpiperidin-1-ium-1-carboxylate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethyl]-4,5-diphenyl-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-diphenyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethyl]-4,5-diphenylpyrazol-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-diphenyl-pyrazol-3-yl] ester Formula: C31H32Cl2N3O2+ MolecularWeight: 549.51068

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)C(=O)OC2=C(C(=NN2C(C)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC[N+]1(CCCCC1)C(=O)OC2=C(C(=NN2C(C)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32Cl2N3O2/c1-3-36(19-11-6-12-20-36)31(37)38-30-28(23-13-7-4-8-14-23)29(24-15-9-5-10-16-24)34-35(30)22(2)25-17-18-26(32)27(33)21-25/h4-5,7-10,13-18,21-22H,3,6,11-12,19-20H2,1-2H3/q+1