1-(1-adamantyl)-2-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[2-amino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazol-1-iumyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]ethanone Formula: C25H36N4O2+2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCC[NH+]1CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H34N4O2/c26-24-28(6-5-27-7-9-31-10-8-27)21-3-1-2-4-22(21)29(24)17-23(30)25-14-18-11-19(15-25)13-20(12-18)16-25/h1-4,18-20,26H,5-17H2/p+2