2-(4-bromanylphenoxy)ethyl-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(4-bromophenoxy)ethyl-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-bromophenoxy)ethyl-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2-(4-bromophenoxy)ethyl-[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H28BrN2O2+ MolecularWeight: 384.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)[NH+](C)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)[NH+](C)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H27BrN2O2/c1-14(18(22)20-16-6-4-3-5-7-16)21(2)12-13-23-17-10-8-15(19)9-11-17/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1