N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H28N5O3S2+ MolecularWeight: 426.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C18H27N5O3S2/c1-15-13-16(2)23(20-15)7-4-6-19-17(24)14-21-8-10-22(11-9-21)28(25,26)18-5-3-12-27-18/h3,5,12-13H,4,6-11,14H2,1-2H3,(H,19,24)/p+1