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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(4R)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CC3=C(C=CC(=C3)C)OC

Isomeric SMILES

C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CC3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C22H27N3O3/c1-15-9-10-20(28-4)17(11-15)13-24(3)14-22(27)25-16(2)12-21(26)23-18-7-5-6-8-19(18)25/h5-11,16H,12-14H2,1-4H3,(H,23,26)/p+1/t16-/m1/s1