3-[4-(azepan-1-ylcarbonyl)-2-methoxy-phenoxy]propylazanium

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)-2-methoxy-phenoxy]propylazanium Openeye Name: 3-[4-(azepane-1-carbonyl)-2-methoxy-phenoxy]propylammonium CAS Name: 3-[4-[1-azepanyl(oxo)methyl]-2-methoxyphenoxy]propylammonium IUPAC Name: 3-[4-(azepane-1-carbonyl)-2-methoxyphenoxy]propylazanium Traditional Name: 3-[4-(azepane-1-carbonyl)-2-methoxy-phenoxy]propylammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCCCC2)OCCC[NH3+]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCCCC2)OCCC[NH3+]

InChI

InChI=1S/C17H26N2O3/c1-21-16-13-14(7-8-15(16)22-12-6-9-18)17(20)19-10-4-2-3-5-11-19/h7-8,13H,2-6,9-12,18H2,1H3/p+1