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

Systemtic Name: diethyl-[(1S)-1-(4-fluoranyl-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]azanium Openeye Name: diethyl-[(1S)-1-(4-fluoro-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]ammonium CAS Name: diethyl-[(1S)-1-(4-fluoro-3-methylphenyl)-2-(1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(4-fluoro-3-methylphenyl)-2-piperazin-4-ium-1-ylethyl]azanium Traditional Name: diethyl-[(1S)-1-(4-fluoro-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]ammonium Formula: C17H30FN3+2 MolecularWeight: 295.438603

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CN1CC[NH2+]CC1)C2=CC(=C(C=C2)F)C

Isomeric SMILES

CC[NH+](CC)[C@H](CN1CC[NH2+]CC1)C2=CC(=C(C=C2)F)C

InChI

InChI=1S/C17H28FN3/c1-4-21(5-2)17(13-20-10-8-19-9-11-20)15-6-7-16(18)14(3)12-15/h6-7,12,17,19H,4-5,8-11,13H2,1-3H3/p+2/t17-/m1/s1