1-(1-adamantyl)-2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanone Openeye Name: 1-(1-adamantyl)-2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)ethanone CAS Name: 1-(1-adamantyl)-2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)ethanone IUPAC Name: 1-(1-adamantyl)-2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)ethanone Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O/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/p+1