[6-[[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [6-[[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-6-oxidanylidene-hexyl]azanium Openeye Name: [6-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-6-oxo-hexyl]ammonium CAS Name: [6-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-6-oxohexyl]ammonium IUPAC Name: [6-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-6-oxohexyl]azanium Traditional Name: [6-[[7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-6-keto-hexyl]ammonium Formula: C21H22BrClN3O3+ MolecularWeight: 479.77468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCCCC[NH3+])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCCCC[NH3+])Cl

InChI

InChI=1S/C21H21BrClN3O3/c22-13-9-10-17-15(12-13)19(14-6-3-4-7-16(14)23)26-21(20(28)25-17)29-18(27)8-2-1-5-11-24/h3-4,6-7,9-10,12,21H,1-2,5,8,11,24H2,(H,25,28)/p+1