ethyl-[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: ethyl-[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: ethyl-[2-keto-2-[(4R)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-(2-thenyl)ammonium Formula: C19H24N3O2S+ MolecularWeight: 358.47776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)N2[C@@H](CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C19H23N3O2S/c1-3-21(12-15-7-6-10-25-15)13-19(24)22-14(2)11-18(23)20-16-8-4-5-9-17(16)22/h4-10,14H,3,11-13H2,1-2H3,(H,20,23)/p+1/t14-/m1/s1