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

Systemtic Name: 1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone Openeye Name: 1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone CAS Name: 1-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone IUPAC Name: 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone Traditional Name: 1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone Formula: C16H22BrN4OS+ MolecularWeight: 398.34108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=C(C(=NN1)C)CC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C16H21BrN4OS/c1-11-14(12(2)19-18-11)9-16(22)21-7-5-20(6-8-21)10-13-3-4-15(17)23-13/h3-4H,5-10H2,1-2H3,(H,18,19)/p+1