[(3S)-3-(4-fluoranyl-3-methyl-phenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(3S)-3-(4-fluoranyl-3-methyl-phenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium Openeye Name: [(3S)-3-(4-fluoro-3-methyl-phenyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(4-fluoro-3-methylphenyl)-3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ium-1-ylpropyl]azanium Traditional Name: [(3S)-3-(4-fluoro-3-methyl-phenyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium Formula: C14H23FN2+2 MolecularWeight: 238.344223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC[NH3+])[NH+]2CCCC2)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](CC[NH3+])[NH+]2CCCC2)F

InChI

InChI=1S/C14H21FN2/c1-11-10-12(4-5-13(11)15)14(6-7-16)17-8-2-3-9-17/h4-5,10,14H,2-3,6-9,16H2,1H3/p+2/t14-/m0/s1