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

Systemtic Name: ethyl-[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: benzyl-ethyl-[2-keto-2-[(4R)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)N2[C@@H](CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C21H25N3O2/c1-3-23(14-17-9-5-4-6-10-17)15-21(26)24-16(2)13-20(25)22-18-11-7-8-12-19(18)24/h4-12,16H,3,13-15H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1