1-(1-adamantyl)-2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanone hydrobromide

Systemtic Name: 1-(1-adamantyl)-2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanone hydrobromide Openeye Name: 1-(1-adamantyl)-2-(3-allyl-2-imino-benzimidazol-1-yl)ethanone hydrobromide CAS Name: 1-(1-adamantyl)-2-(2-imino-3-prop-2-enyl-1-benzimidazolyl)ethanone hydrobromide IUPAC Name: 1-(1-adamantyl)-2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)ethanone hydrobromide Traditional Name: 1-(1-adamantyl)-2-(3-allyl-2-imino-benzimidazol-1-yl)ethanone hydrobromide Formula: C22H28BrN3O MolecularWeight: 430.38122

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)C34CC5CC(C3)CC(C5)C4.Br

Isomeric SMILES

C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)C34CC5CC(C3)CC(C5)C4.Br

InChI

InChI=1S/C22H27N3O.BrH/c1-2-7-24-18-5-3-4-6-19(18)25(21(24)23)14-20(26)22-11-15-8-16(12-22)10-17(9-15)13-22;/h2-6,15-17,23H,1,7-14H2;1H