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

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)phenoxy]propylazanium Openeye Name: 3-[4-(azepane-1-carbonyl)phenoxy]propylammonium CAS Name: 3-[4-[1-azepanyl(oxo)methyl]phenoxy]propylammonium IUPAC Name: 3-[4-(azepane-1-carbonyl)phenoxy]propylazanium Traditional Name: 3-[4-(azepane-1-carbonyl)phenoxy]propylammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)OCCC[NH3+]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)OCCC[NH3+]

InChI

InChI=1S/C16H24N2O2/c17-10-5-13-20-15-8-6-14(7-9-15)16(19)18-11-3-1-2-4-12-18/h6-9H,1-5,10-13,17H2/p+1