[4-(3-fluoranylphenoxy)phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [4-(3-fluoranylphenoxy)phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-(3-fluorophenoxy)phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-(3-fluorophenoxy)phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-(3-fluorophenoxy)phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-(3-fluorophenoxy)phenyl]-piperazin-4-ium-1-yl-methanone Formula: C17H18FN2O2+ MolecularWeight: 301.335423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=C(C=C2)OC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=C(C=C2)OC3=CC(=CC=C3)F

InChI

InChI=1S/C17H17FN2O2/c18-14-2-1-3-16(12-14)22-15-6-4-13(5-7-15)17(21)20-10-8-19-9-11-20/h1-7,12,19H,8-11H2/p+1