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

Systemtic Name: (3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-(4-fluorophenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-fluorophenyl)amine Formula: C18H26FN4+ MolecularWeight: 317.424243

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H25FN4/c1-3-23-14(2)15(11-20-23)12-22-10-4-5-18(13-22)21-17-8-6-16(19)7-9-17/h6-9,11,18,21H,3-5,10,12-13H2,1-2H3/p+1/t18-/m0/s1