2-[2-(1-adamantyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-4-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-(1-adamantyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-4-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-(1-adamantyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-4-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-(1-adamantyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-4-yl]ethyl-diethylammonium IUPAC Name: 2-[2-(1-adamantyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-4-yl]ethyl-diethylazanium Traditional Name: 2-[2-(1-adamantyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-4-yl]ethyl-diethyl-ammonium Formula: C25H36N4+2 MolecularWeight: 392.58014

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C2NC(=CN2C3=CC=CC=C31)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C2NC(=CN2C3=CC=CC=C31)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H34N4/c1-3-27(4-2)9-10-28-21-7-5-6-8-22(21)29-17-23(26-24(28)29)25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,17-20H,3-4,9-16H2,1-2H3/p+2