[(1S)-1-(2-methoxy-5-methyl-phenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(2-methoxy-5-methyl-phenyl)-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(2-methoxy-5-methyl-phenyl)-2-(2-oxoazepan-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(2-methoxy-5-methylphenyl)-2-(2-oxo-1-azepanyl)ethyl]ammonium IUPAC Name: [(1S)-1-(2-methoxy-5-methylphenyl)-2-(2-oxoazepan-1-yl)ethyl]azanium Traditional Name: [(1S)-2-(2-ketoazepan-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(CN2CCCCCC2=O)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@@H](CN2CCCCCC2=O)[NH3+]

InChI

InChI=1S/C16H24N2O2/c1-12-7-8-15(20-2)13(10-12)14(17)11-18-9-5-3-4-6-16(18)19/h7-8,10,14H,3-6,9,11,17H2,1-2H3/p+1/t14-/m1/s1