[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(2-furyl)methanone Formula: C20H22ClN4O2+ MolecularWeight: 385.86728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4O2/c1-15-17(19(21)25(22-15)16-6-3-2-4-7-16)14-23-9-11-24(12-10-23)20(26)18-8-5-13-27-18/h2-8,13H,9-12,14H2,1H3/p+1