[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-bromanyl-2,6-dimethyl-phenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-bromanyl-2,6-dimethyl-phenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(4-bromo-2,6-dimethyl-phenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(4-bromo-2,6-dimethylphenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(4-bromo-2,6-dimethylphenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(4-bromo-2,6-dimethyl-phenyl)ammonium Formula: C17H26BrN2O+ MolecularWeight: 354.30514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O/c1-12-10-15(18)11-13(2)16(12)19-14(3)17(21)20-8-6-4-5-7-9-20/h10-11,14,19H,4-9H2,1-3H3/p+1/t14-/m0/s1