(3S)-1-[(1-ethylimidazol-2-yl)methyl]-N-(3-fluorophenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-N-(3-fluorophenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-N-(3-fluorophenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(1-ethyl-2-imidazolyl)methyl]-N-(3-fluorophenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-N-(3-fluorophenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(1-ethylimidazol-2-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:

CCN1C=CN=C1C[NH+]2CCCC(C2)NC3=CC(=CC=C3)F

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)NC3=CC(=CC=C3)F

InChI

InChI=1S/C17H23FN4/c1-2-22-10-8-19-17(22)13-21-9-4-7-16(12-21)20-15-6-3-5-14(18)11-15/h3,5-6,8,10-11,16,20H,2,4,7,9,12-13H2,1H3/p+1/t16-/m0/s1