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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3-iodanylphenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(3-iodophenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(3-iodophenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(3-iodophenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(3-iodophenyl)ammonium Formula: C14H20IN2O+ MolecularWeight: 359.22587

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH2+]C2=CC(=CC=C2)I

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH2+]C2=CC(=CC=C2)I

InChI

InChI=1S/C14H19IN2O/c15-12-6-5-7-13(10-12)16-11-14(18)17-8-3-1-2-4-9-17/h5-7,10,16H,1-4,8-9,11H2/p+1