[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(4-bromophenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(4-bromophenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[(4-bromophenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[(4-bromophenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[(4-bromophenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-(4-bromobenzyl)-methyl-ammonium Formula: C20H28BrN2O+ MolecularWeight: 392.35312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O/c1-23(12-14-2-4-18(21)5-3-14)13-19(24)22-20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,15-17H,6-13H2,1H3,(H,22,24)/p+1