1-[(2R)-5-(4-fluoranyl-3-methyl-phenyl)-5-methyl-hexan-2-yl]piperazin-4-ium

Systemtic Name: 1-[(2R)-5-(4-fluoranyl-3-methyl-phenyl)-5-methyl-hexan-2-yl]piperazin-4-ium Openeye Name: 1-[(1R)-4-(4-fluoro-3-methyl-phenyl)-1,4-dimethyl-pentyl]piperazin-4-ium CAS Name: 1-[(2R)-5-(4-fluoro-3-methylphenyl)-5-methylhexan-2-yl]piperazin-4-ium IUPAC Name: 1-[(2R)-5-(4-fluoro-3-methylphenyl)-5-methylhexan-2-yl]piperazin-4-ium Traditional Name: 1-[(1R)-4-(4-fluoro-3-methyl-phenyl)-1,4-dimethyl-pentyl]piperazin-4-ium Formula: C18H30FN2+ MolecularWeight: 293.442603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)CCC(C)N2CC[NH2+]CC2)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)CC[C@@H](C)N2CC[NH2+]CC2)F

InChI

InChI=1S/C18H29FN2/c1-14-13-16(5-6-17(14)19)18(3,4)8-7-15(2)21-11-9-20-10-12-21/h5-6,13,15,20H,7-12H2,1-4H3/p+1/t15-/m1/s1