1-(4-fluorophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone

Systemtic Name: 1-(4-fluorophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone Openeye Name: 1-(4-fluorophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone CAS Name: 1-(4-fluorophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone IUPAC Name: 1-(4-fluorophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone Traditional Name: 1-(4-fluorophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone Formula: C14H18FN2O+ MolecularWeight: 249.303923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CCC(=[NH+]CC1)NCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H17FN2O/c15-12-7-5-11(6-8-12)13(18)10-17-14-4-2-1-3-9-16-14/h5-8H,1-4,9-10H2,(H,16,17)/p+1