[(1S)-1-(3,4-dimethoxyphenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-oxoazepan-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-oxo-1-azepanyl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-oxoazepan-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-ketoazepan-1-yl)ethyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCCCCC2=O)[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CN2CCCCCC2=O)[NH3+])OC

InChI

InChI=1S/C16H24N2O3/c1-20-14-8-7-12(10-15(14)21-2)13(17)11-18-9-5-3-4-6-16(18)19/h7-8,10,13H,3-6,9,11,17H2,1-2H3/p+1/t13-/m1/s1