[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(2-ethoxyphenyl)azanium

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(2-ethoxyphenyl)azanium Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(2-ethoxyphenyl)ammonium CAS Name: [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-(2-ethoxyphenyl)ammonium IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(2-ethoxyphenyl)azanium Traditional Name: [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-o-phenetyl-ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1[NH2+]C(C)C(=O)N2CCCCCC2

Isomeric SMILES

CCOC1=CC=CC=C1[NH2+][C@H](C)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H26N2O2/c1-3-21-16-11-7-6-10-15(16)18-14(2)17(20)19-12-8-4-5-9-13-19/h6-7,10-11,14,18H,3-5,8-9,12-13H2,1-2H3/p+1/t14-/m1/s1