[4-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methylazanium

Systemtic Name: [4-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methylazanium Openeye Name: [4-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methylammonium CAS Name: [4-[2-(1-azepan-1-iumyl)ethoxy]phenyl]methylammonium IUPAC Name: [4-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]methylazanium Traditional Name: [4-[2-(azepan-1-ium-1-yl)ethoxy]benzyl]ammonium Formula: C15H26N2O+2 MolecularWeight: 250.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CCC[NH+](CC1)CCOC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C15H24N2O/c16-13-14-5-7-15(8-6-14)18-12-11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-13,16H2/p+2