[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-bromanyl-2-methyl-phenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-bromanyl-2-methyl-phenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(4-bromo-2-methyl-phenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(4-bromo-2-methylphenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(4-bromo-2-methylphenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(4-bromo-2-methyl-phenyl)ammonium Formula: C16H24BrN2O+ MolecularWeight: 340.27856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)[NH2+]C(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)[NH2+][C@@H](C)C(=O)N2CCCCCC2

InChI

InChI=1S/C16H23BrN2O/c1-12-11-14(17)7-8-15(12)18-13(2)16(20)19-9-5-3-4-6-10-19/h7-8,11,13,18H,3-6,9-10H2,1-2H3/p+1/t13-/m0/s1