[2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-5-bromanyl-phenyl]methylazanium

Systemtic Name: [2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-5-bromanyl-phenyl]methylazanium Openeye Name: [2-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]-5-bromo-phenyl]methylammonium CAS Name: [2-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]oxy-5-bromophenyl]methylammonium IUPAC Name: [2-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxy-5-bromophenyl]methylazanium Traditional Name: [2-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]-5-bromo-benzyl]ammonium Formula: C16H24BrN2O2+ MolecularWeight: 356.27796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)Br)C[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)Br)C[NH3+]

InChI

InChI=1S/C16H23BrN2O2/c1-12(16(20)19-8-4-2-3-5-9-19)21-15-7-6-14(17)10-13(15)11-18/h6-7,10,12H,2-5,8-9,11,18H2,1H3/p+1/t12-/m0/s1