2-[7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]naphthalen-1-one

Systemtic Name: 2-[7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]naphthalen-1-one Openeye Name: 2-[7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]naphthalen-1-one CAS Name: 2-[7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]-1-naphthalenone IUPAC Name: 2-[7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]naphthalen-1-one Traditional Name: 2-[7-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-diazepin-1-ium-5-ylidene]naphthalen-1-one Formula: C16H14F3N2O+ MolecularWeight: 307.29037

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C2C=CC3=CC=CC=C3C2=O)C=C([NH2+]1)C(F)(F)F

Isomeric SMILES

C1CNC(=C2C=CC3=CC=CC=C3C2=O)C=C([NH2+]1)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O/c17-16(18,19)14-9-13(20-7-8-21-14)12-6-5-10-3-1-2-4-11(10)15(12)22/h1-6,9,20-21H,7-8H2/p+1