2-[1-(4-fluorophenyl)carbonyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-4-yl]ethanoate

Systemtic Name: 2-[1-(4-fluorophenyl)carbonyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-4-yl]ethanoate Openeye Name: 2-[1-(4-fluorobenzoyl)-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-4-yl]acetate CAS Name: 2-[1-[(4-fluorophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-4-yl]acetate IUPAC Name: 2-[1-(4-fluorobenzoyl)-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-4-yl]acetate Traditional Name: 2-[1-(4-fluorobenzoyl)-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-4-yl]acetate Formula: C18H17FN2O3 MolecularWeight: 328.337583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2C[NH+]1CC(=O)[O-])C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(C2=CC=CC=C2C[NH+]1CC(=O)[O-])C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O3/c19-15-7-5-13(6-8-15)18(24)21-10-9-20(12-17(22)23)11-14-3-1-2-4-16(14)21/h1-8H,9-12H2,(H,22,23)