(3-fluoranyl-4-methyl-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (3-fluoro-4-methyl-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (3-fluoro-4-methylphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (3-fluoro-4-methylphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (3-fluoro-4-methyl-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C12H16FN2O+ MolecularWeight: 223.266643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FN2O/c1-9-2-3-10(8-11(9)13)12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3/p+1