(4S)-5-(2-pyrrolidin-1-ium-1-ylethanoyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-5-(2-pyrrolidin-1-ium-1-ylethanoyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-(2-pyrrolidin-1-ium-1-ylacetyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-(2-pyrrolidin-1-ium-1-ylacetyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-(2-pyrrolidin-1-ium-1-ylacetyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C16H19F3N3O2+ MolecularWeight: 342.33617

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2[C@@H](CC(=O)NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C16H18F3N3O2/c17-16(18,19)13-9-14(23)20-11-5-1-2-6-12(11)22(13)15(24)10-21-7-3-4-8-21/h1-2,5-6,13H,3-4,7-10H2,(H,20,23)/p+1/t13-/m0/s1