(3-fluoranyl-4-methoxy-phenyl)-[(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)-[(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-(3-methylbut-2-enyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]methanone Formula: C18H25FNO2+ MolecularWeight: 306.395003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCCC(C1)C(=O)C2=CC(=C(C=C2)OC)F)C

Isomeric SMILES

CC(=CC[NH+]1CCC[C@@H](C1)C(=O)C2=CC(=C(C=C2)OC)F)C

InChI

InChI=1S/C18H24FNO2/c1-13(2)8-10-20-9-4-5-15(12-20)18(21)14-6-7-17(22-3)16(19)11-14/h6-8,11,15H,4-5,9-10,12H2,1-3H3/p+1/t15-/m0/s1