[1-(3-chlorophenyl)-5-propan-2-yl-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(3-chlorophenyl)-5-propan-2-yl-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(3-chlorophenyl)-5-isopropyl-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(3-chlorophenyl)-5-propan-2-yl-3-propyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(3-chlorophenyl)-5-propan-2-yl-3-propylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(3-chlorophenyl)-5-isopropyl-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H32ClN4O+ MolecularWeight: 403.96868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)C(C)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)C(C)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H31ClN4O/c1-5-8-19-20(22(28)26-13-11-25(6-2)12-14-26)21(16(3)4)27(24-19)18-10-7-9-17(23)15-18/h7,9-10,15-16H,5-6,8,11-14H2,1-4H3/p+1