1-[(2R)-2-(4-fluoranyl-3-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium

Systemtic Name: 1-[(2R)-2-(4-fluoranyl-3-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Openeye Name: 1-[(2R)-2-(4-fluoro-3-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2R)-2-(4-fluoro-3-methylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2R)-2-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperazin-4-ium Traditional Name: 1-[(2R)-2-(4-fluoro-3-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Formula: C17H28FN3+2 MolecularWeight: 293.422723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CN2CC[NH2+]CC2)[NH+]3CCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](CN2CC[NH2+]CC2)[NH+]3CCCC3)F

InChI

InChI=1S/C17H26FN3/c1-14-12-15(4-5-16(14)18)17(21-8-2-3-9-21)13-20-10-6-19-7-11-20/h4-5,12,17,19H,2-3,6-11,13H2,1H3/p+2/t17-/m0/s1