(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C18H24ClN4O+ MolecularWeight: 347.86236

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H23ClN4O/c1-3-9-21-10-12-22(13-11-21)18(24)16-14(2)20-23(17(16)19)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3/p+1