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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H19ClN4O/c1-12-14(16(22)20-10-8-19(2)9-11-20)15(17)21(18-12)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3/p+1