[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C21H30BrN2O2+ MolecularWeight: 422.3791

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29BrN2O2/c1-24(12-17-8-18(22)3-4-19(17)26-2)13-20(25)23-21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,14-16H,5-7,9-13H2,1-2H3,(H,23,25)/p+1