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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)-2-methoxy-phenoxy]ethylazanium Openeye Name: 2-[4-(azepane-1-carbonyl)-2-methoxy-phenoxy]ethylammonium CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-2-methoxyphenoxy]ethylammonium IUPAC Name: 2-[4-(azepane-1-carbonyl)-2-methoxyphenoxy]ethylazanium Traditional Name: 2-[4-(azepane-1-carbonyl)-2-methoxy-phenoxy]ethylammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-20-15-12-13(6-7-14(15)21-11-8-17)16(19)18-9-4-2-3-5-10-18/h6-7,12H,2-5,8-11,17H2,1H3/p+1