[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Formula: C21H24BrN4OS+ MolecularWeight: 460.41046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C21H23BrN4OS/c1-15-20(16(2)26(23-15)17-6-4-3-5-7-17)21(27)25-12-10-24(11-13-25)14-18-8-9-19(22)28-18/h3-9H,10-14H2,1-2H3/p+1