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

Systemtic Name: (4-ethylphenyl)methyl-methyl-[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-ethylphenyl)methyl-methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: (4-ethylphenyl)methyl-methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: (4-ethylphenyl)methyl-methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: (4-ethylbenzyl)-[2-keto-2-[(4R)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-methyl-ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)N2[C@@H](CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C22H27N3O2/c1-4-17-9-11-18(12-10-17)14-24(3)15-22(27)25-16(2)13-21(26)23-19-7-5-6-8-20(19)25/h5-12,16H,4,13-15H2,1-3H3,(H,23,26)/p+1/t16-/m1/s1