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

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C16H21ClN5O3S+ MolecularWeight: 398.88764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN5O3S/c1-11-16(22(24)25)12(2)21(18-11)10-15(23)20-7-5-19(6-8-20)9-13-3-4-14(17)26-13/h3-4H,5-10H2,1-2H3/p+1