[(1S)-2-(2-oxidanylideneazepan-1-yl)-1-(4-propylphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(2-oxidanylideneazepan-1-yl)-1-(4-propylphenyl)ethyl]azanium Openeye Name: [(1S)-2-(2-oxoazepan-1-yl)-1-(4-propylphenyl)ethyl]ammonium CAS Name: [(1S)-2-(2-oxo-1-azepanyl)-1-(4-propylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(2-oxoazepan-1-yl)-1-(4-propylphenyl)ethyl]azanium Traditional Name: [(1S)-2-(2-ketoazepan-1-yl)-1-(4-propylphenyl)ethyl]ammonium Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CN2CCCCCC2=O)[NH3+]

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](CN2CCCCCC2=O)[NH3+]

InChI

InChI=1S/C17H26N2O/c1-2-6-14-8-10-15(11-9-14)16(18)13-19-12-5-3-4-7-17(19)20/h8-11,16H,2-7,12-13,18H2,1H3/p+1/t16-/m1/s1