[(1S)-1-(4-fluoranyl-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-fluoranyl-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-fluoro-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-fluoro-3-methylphenyl)-2-(1-piperazin-4-iumyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-fluoro-3-methylphenyl)-2-piperazin-4-ium-1-ylethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-fluoro-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium Formula: C15H26FN3+2 MolecularWeight: 267.385443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24FN3/c1-12-10-13(4-5-14(12)16)15(18(2)3)11-19-8-6-17-7-9-19/h4-5,10,15,17H,6-9,11H2,1-3H3/p+2/t15-/m1/s1