N-[3-[3-[[bis(2-hydroxyethyl)amino]methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-[3-[[bis(2-hydroxyethyl)amino]methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[3-[[bis(2-hydroxyethyl)amino]methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[3-[[bis(2-hydroxyethyl)amino]methyl]phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[3-[[bis(2-hydroxyethyl)amino]methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[3-[[bis(2-hydroxyethyl)amino]methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-])CN(CCO)CCO

Isomeric SMILES

C1=CC(=CC(=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-])CN(CCO)CCO

InChI

InChI=1S/C20H27N3O5/c24-11-9-22(10-12-25)15-17-4-1-6-19(14-17)28-13-3-7-21-20(26)18-5-2-8-23(27)16-18/h1-2,4-6,8,14,16,24-25H,3,7,9-13,15H2,(H,21,26)