(4-chloranyl-2-methyl-pyrazol-3-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-chloranyl-2-methyl-pyrazol-3-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(4-chloro-2-methyl-pyrazol-3-yl)methanone CAS Name: (4-chloro-2-methyl-3-pyrazolyl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-chloro-2-methylpyrazol-3-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(4-chloro-2-methyl-pyrazol-3-yl)methanone Formula: C12H18ClN4O+ MolecularWeight: 269.75052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)CC=C

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)CC=C

InChI

InChI=1S/C12H17ClN4O/c1-3-4-16-5-7-17(8-6-16)12(18)11-10(13)9-14-15(11)2/h3,9H,1,4-8H2,2H3/p+1