[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-iodanylphenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-iodanylphenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3-iodophenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3-iodophenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3-iodophenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(3-iodophenyl)ammonium Formula: C15H22IN2O+ MolecularWeight: 373.25245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]C2=CC(=CC=C2)I

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]C2=CC(=CC=C2)I

InChI

InChI=1S/C15H21IN2O/c1-12(17-14-8-6-7-13(16)11-14)15(19)18-9-4-2-3-5-10-18/h6-8,11-12,17H,2-5,9-10H2,1H3/p+1/t12-/m0/s1