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

Systemtic Name: 1-oxidanidyl-N-[3-[3-[[(phenylmethyl)amino]methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[3-[(benzylamino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[3-[3-[[(phenylmethyl)amino]methyl]phenoxy]propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[3-[(benzylamino)methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[3-[(benzylamino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CC(=CC=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CC(=CC=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C23H25N3O3/c27-23(21-10-5-13-26(28)18-21)25-12-6-14-29-22-11-4-9-20(15-22)17-24-16-19-7-2-1-3-8-19/h1-5,7-11,13,15,18,24H,6,12,14,16-17H2,(H,25,27)