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

Systemtic Name: (2-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-fluorophenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-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=CC=C3F

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H25FN2O/c1-14-5-4-6-15(13-14)20-9-11-21(12-10-20)18(22)16-7-2-3-8-17(16)19/h2-3,7-8,14-15H,4-6,9-13H2,1H3/p+1/t14-,15+/m1/s1