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

Systemtic Name: N-[3-[3-[[bis(2-methoxyethyl)amino]methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[3-[[bis(2-methoxyethyl)amino]methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[3-[[bis(2-methoxyethyl)amino]methyl]phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[3-[[bis(2-methoxyethyl)amino]methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[3-[[bis(2-methoxyethyl)amino]methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)CC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

COCCN(CCOC)CC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C22H31N3O5/c1-28-14-11-24(12-15-29-2)17-19-6-3-8-21(16-19)30-13-5-9-23-22(26)20-7-4-10-25(27)18-20/h3-4,6-8,10,16,18H,5,9,11-15,17H2,1-2H3,(H,23,26)