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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3-ethynylphenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(3-ethynylphenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(3-ethynylphenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(3-ethynylphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(3-ethynylphenyl)ammonium Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O/c1-2-14-8-7-9-15(12-14)17-13-16(19)18-10-5-3-4-6-11-18/h1,7-9,12,17H,3-6,10-11,13H2/p+1