[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-p-anisyl-ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH2+]CC(=O)N2CCCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)C[NH2+]CC(=O)N2CCCCCC2

InChI

InChI=1S/C16H24N2O2/c1-20-15-8-6-14(7-9-15)12-17-13-16(19)18-10-4-2-3-5-11-18/h6-9,17H,2-5,10-13H2,1H3/p+1