(2S)-2-(2-thiophen-2-ylethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium

Systemtic Name: (2S)-2-(2-thiophen-2-ylethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium Openeye Name: (2S)-2-[2-(2-thienyl)ethyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium CAS Name: (2S)-2-(2-thiophen-2-ylethyl)-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]piperidin-1-ium IUPAC Name: (2S)-2-(2-thiophen-2-ylethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium Traditional Name: (2S)-2-[2-(2-thienyl)ethyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium Formula: C18H28N3S+ MolecularWeight: 318.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCCCC2CCC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCCC[C@H]2CCC3=CC=CS3

InChI

InChI=1S/C18H27N3S/c1-14-18(15(2)20(3)19-14)13-21-11-5-4-7-16(21)9-10-17-8-6-12-22-17/h6,8,12,16H,4-5,7,9-11,13H2,1-3H3/p+1/t16-/m0/s1