N-[1-(1-adamantyl)ethyl]-2-phenanthridin-5-ium-5-yl-ethanamide bromide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-phenanthridin-5-ium-5-yl-ethanamide bromide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-phenanthridin-5-ium-5-yl-acetamide bromide CAS Name: N-[1-(1-adamantyl)ethyl]-2-(5-phenanthridin-5-iumyl)acetamide bromide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-phenanthridin-5-ium-5-ylacetamide bromide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-phenanthridin-5-ium-5-yl-acetamide bromide Formula: C27H31BrN2O MolecularWeight: 479.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C[N+]4=CC5=CC=CC=C5C6=CC=CC=C64.[Br-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C[N+]4=CC5=CC=CC=C5C6=CC=CC=C64.[Br-]

InChI

InChI=1S/C27H30N2O.BrH/c1-18(27-13-19-10-20(14-27)12-21(11-19)15-27)28-26(30)17-29-16-22-6-2-3-7-23(22)24-8-4-5-9-25(24)29;/h2-9,16,18-21H,10-15,17H2,1H3;1H