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

Systemtic Name: [1-(2-chlorophenyl)-5-methyl-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-chlorophenyl)-5-methyl-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-chlorophenyl)-5-methyl-3-propyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-chlorophenyl)-5-methyl-3-propylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorophenyl)-5-methyl-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H28ClN4O+ MolecularWeight: 375.91552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)C)C3=CC=CC=C3Cl

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)C)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H27ClN4O/c1-4-8-17-19(20(26)24-13-11-23(5-2)12-14-24)15(3)25(22-17)18-10-7-6-9-16(18)21/h6-7,9-10H,4-5,8,11-14H2,1-3H3/p+1