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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)N2[C@@H](CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C22H27N3O3/c1-4-28-18-11-9-17(10-12-18)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