(2S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidin-1-ium

Systemtic Name: (2S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidin-1-ium Openeye Name: (2S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[2-(2-thienyl)ethyl]piperidin-1-ium CAS Name: (2S)-1-[(2,5-dimethyl-3-pyrazolyl)methyl]-2-(2-thiophen-2-ylethyl)piperidin-1-ium IUPAC Name: (2S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidin-1-ium Traditional Name: (2S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[2-(2-thienyl)ethyl]piperidin-1-ium Formula: C17H26N3S+ MolecularWeight: 304.47344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C[NH+]2CCCCC2CCC3=CC=CS3)C

Isomeric SMILES

CC1=NN(C(=C1)C[NH+]2CCCC[C@H]2CCC3=CC=CS3)C

InChI

InChI=1S/C17H25N3S/c1-14-12-16(19(2)18-14)13-20-10-4-3-6-15(20)8-9-17-7-5-11-21-17/h5,7,11-12,15H,3-4,6,8-10,13H2,1-2H3/p+1/t15-/m0/s1