[2-[[5-(1-adamantyl)-2-bromanyl-phenyl]amino]-2-oxidanylidene-ethyl]-diethyl-azanium

Systemtic Name: [2-[[5-(1-adamantyl)-2-bromanyl-phenyl]amino]-2-oxidanylidene-ethyl]-diethyl-azanium Openeye Name: [2-[5-(1-adamantyl)-2-bromo-anilino]-2-oxo-ethyl]-diethyl-ammonium CAS Name: [2-[5-(1-adamantyl)-2-bromoanilino]-2-oxoethyl]-diethylammonium IUPAC Name: [2-[5-(1-adamantyl)-2-bromoanilino]-2-oxoethyl]-diethylazanium Traditional Name: [2-[5-(1-adamantyl)-2-bromo-anilino]-2-keto-ethyl]-diethyl-ammonium Formula: C22H32BrN2O+ MolecularWeight: 420.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)NC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC[NH+](CC)CC(=O)NC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C22H31BrN2O/c1-3-25(4-2)14-21(26)24-20-10-18(5-6-19(20)23)22-11-15-7-16(12-22)9-17(8-15)13-22/h5-6,10,15-17H,3-4,7-9,11-14H2,1-2H3,(H,24,26)/p+1