(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidin-1-ium

Systemtic Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidin-1-ium Openeye Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-[2-(2-thienyl)ethyl]piperidin-1-ium CAS Name: (2S)-1-[(1-methyl-4-pyrazolyl)methyl]-2-(2-thiophen-2-ylethyl)piperidin-1-ium IUPAC Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidin-1-ium Traditional Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-[2-(2-thienyl)ethyl]piperidin-1-ium Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCCC2CCC3=CC=CS3

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCCC[C@H]2CCC3=CC=CS3

InChI

InChI=1S/C16H23N3S/c1-18-12-14(11-17-18)13-19-9-3-2-5-15(19)7-8-16-6-4-10-20-16/h4,6,10-12,15H,2-3,5,7-9,13H2,1H3/p+1/t15-/m0/s1