4-[3-(2-methylpropyl)-1-nonyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]butylazanium chloride

Systemtic Name: 4-[3-(2-methylpropyl)-1-nonyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]butylazanium chloride Openeye Name: 4-(3-isobutyl-1-nonyl-2-oxo-3H-1,4-benzodiazepin-5-yl)butylammonium chloride CAS Name: 4-[3-(2-methylpropyl)-1-nonyl-2-oxo-3H-1,4-benzodiazepin-5-yl]butylammonium chloride IUPAC Name: 4-[3-(2-methylpropyl)-1-nonyl-2-oxo-3H-1,4-benzodiazepin-5-yl]butylazanium chloride Traditional Name: 4-(3-isobutyl-2-keto-1-nonyl-3H-1,4-benzodiazepin-5-yl)butylammonium chloride Formula: C26H44ClN3O MolecularWeight: 450.10006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=CC=CC=C2C(=NC(C1=O)CC(C)C)CCCC[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCN1C2=CC=CC=C2C(=NC(C1=O)CC(C)C)CCCC[NH3+].[Cl-]

InChI

InChI=1S/C26H43N3O.ClH/c1-4-5-6-7-8-9-14-19-29-25-17-11-10-15-22(25)23(16-12-13-18-27)28-24(26(29)30)20-21(2)3;/h10-11,15,17,21,24H,4-9,12-14,16,18-20,27H2,1-3H3;1H