[4-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethoxy]phenyl]methylazanium

Systemtic Name: [4-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethoxy]phenyl]methylazanium Openeye Name: [4-[2-oxo-2-(4-pyridylmethylamino)ethoxy]phenyl]methylammonium CAS Name: [4-[2-oxo-2-(pyridin-4-ylmethylamino)ethoxy]phenyl]methylammonium IUPAC Name: [4-[2-oxo-2-(pyridin-4-ylmethylamino)ethoxy]phenyl]methylazanium Traditional Name: [4-[2-keto-2-(4-pyridylmethylamino)ethoxy]benzyl]ammonium Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH3+])OCC(=O)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1C[NH3+])OCC(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C15H17N3O2/c16-9-12-1-3-14(4-2-12)20-11-15(19)18-10-13-5-7-17-8-6-13/h1-8H,9-11,16H2,(H,18,19)/p+1