[2-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methylazanium

Systemtic Name: [2-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methylazanium Openeye Name: [2-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methylammonium CAS Name: [2-[2-(1-azepan-1-iumyl)ethoxy]phenyl]methylammonium IUPAC Name: [2-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methylazanium Traditional Name: [2-[2-(azepan-1-ium-1-yl)ethoxy]benzyl]ammonium Formula: C15H26N2O+2 MolecularWeight: 250.37974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C1CCC[NH+](CC1)CCOC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C15H24N2O/c16-13-14-7-3-4-8-15(14)18-12-11-17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-13,16H2/p+2