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

Systemtic Name: [(1S)-2-(2-oxidanylideneazepan-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropoxyphenyl)-2-(2-oxoazepan-1-yl)ethyl]ammonium CAS Name: [(1S)-2-(2-oxo-1-azepanyl)-1-(4-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(2-oxoazepan-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [(1S)-1-(4-isopropoxyphenyl)-2-(2-ketoazepan-1-yl)ethyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CN2CCCCCC2=O)[NH3+]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H](CN2CCCCCC2=O)[NH3+]

InChI

InChI=1S/C17H26N2O2/c1-13(2)21-15-9-7-14(8-10-15)16(18)12-19-11-5-3-4-6-17(19)20/h7-10,13,16H,3-6,11-12,18H2,1-2H3/p+1/t16-/m1/s1