1,1-diethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 1,1-diethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-ium-2-one Openeye Name: 1,1-diethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-ium-2-one CAS Name: 1,1-diethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 1,1-diethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-ium-2-one Traditional Name: 1,1-diethyl-4,5-dihydro-3H-1,4-benzodiazepin-1-ium-2-one Formula: C13H19N2O+ MolecularWeight: 219.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)CNCC2=CC=CC=C21)CC

Isomeric SMILES

CC[N+]1(C(=O)CNCC2=CC=CC=C21)CC

InChI

InChI=1S/C13H19N2O/c1-3-15(4-2)12-8-6-5-7-11(12)9-14-10-13(15)16/h5-8,14H,3-4,9-10H2,1-2H3/q+1