(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium Formula: C16H26N5+ MolecularWeight: 288.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCCC(C2)C3=CC=NN3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)C3=CC=NN3)C

InChI

InChI=1S/C16H25N5/c1-4-21-13(3)15(12(2)19-21)11-20-9-5-6-14(10-20)16-7-8-17-18-16/h7-8,14H,4-6,9-11H2,1-3H3,(H,17,18)/p+1/t14-/m0/s1