(4-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Formula: C18H26FN2O+ MolecularWeight: 305.410243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H25FN2O/c1-14-3-2-4-17(13-14)20-9-11-21(12-10-20)18(22)15-5-7-16(19)8-6-15/h5-8,14,17H,2-4,9-13H2,1H3/p+1/t14-,17+/m1/s1