(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(1,5-dimethyl-4-pyrazolyl)methyl]-N-(3-fluorophenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-fluorophenyl)amine Formula: C17H24FN4+ MolecularWeight: 303.397663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCCC(C2)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC[C@@H](C2)NC3=CC(=CC=C3)F

InChI

InChI=1S/C17H23FN4/c1-13-14(10-19-21(13)2)11-22-8-4-7-17(12-22)20-16-6-3-5-15(18)9-16/h3,5-6,9-10,17,20H,4,7-8,11-12H2,1-2H3/p+1/t17-/m0/s1