[1-(2-chlorophenyl)-3,5-dipropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(2-chlorophenyl)-3,5-dipropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-chlorophenyl)-3,5-dipropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-chlorophenyl)-3,5-dipropyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-chlorophenyl)-3,5-dipropylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chlorophenyl)-3,5-dipropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2Cl)CCC)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2Cl)CCC)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H29ClN4O/c1-4-8-17-20(21(27)25-14-12-24(3)13-15-25)19(9-5-2)26(23-17)18-11-7-6-10-16(18)22/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3/p+1