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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3-methylsulfanylphenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(3-methylsulfanylphenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[3-(methylthio)phenyl]ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(3-methylsulfanylphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[3-(methylthio)phenyl]ammonium Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)[NH2+]CC(=O)N2CCCCCC2

Isomeric SMILES

CSC1=CC=CC(=C1)[NH2+]CC(=O)N2CCCCCC2

InChI

InChI=1S/C15H22N2OS/c1-19-14-8-6-7-13(11-14)16-12-15(18)17-9-4-2-3-5-10-17/h6-8,11,16H,2-5,9-10,12H2,1H3/p+1