(3-fluorophenyl)-(4-piperazin-4-ium-1-ylphenyl)methanone

Systemtic Name: (3-fluorophenyl)-(4-piperazin-4-ium-1-ylphenyl)methanone Openeye Name: (3-fluorophenyl)-(4-piperazin-4-ium-1-ylphenyl)methanone CAS Name: (3-fluorophenyl)-[4-(1-piperazin-4-iumyl)phenyl]methanone IUPAC Name: (3-fluorophenyl)-(4-piperazin-4-ium-1-ylphenyl)methanone Traditional Name: (3-fluorophenyl)-(4-piperazin-4-ium-1-ylphenyl)methanone Formula: C17H18FN2O+ MolecularWeight: 285.336023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C17H17FN2O/c18-15-3-1-2-14(12-15)17(21)13-4-6-16(7-5-13)20-10-8-19-9-11-20/h1-7,12,19H,8-11H2/p+1