1-oxidanidyl-N-[3-[3-[(prop-2-ynylamino)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[3-[3-[(prop-2-ynylamino)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[3-[3-[(prop-2-ynylamino)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[3-[3-[(prop-2-ynylamino)methyl]phenoxy]propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[3-[3-[(prop-2-ynylamino)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[3-[3-[(propargylamino)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNCC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

C#CCNCC1=CC(=CC=C1)OCCCNC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C19H21N3O3/c1-2-9-20-14-16-6-3-8-18(13-16)25-12-5-10-21-19(23)17-7-4-11-22(24)15-17/h1,3-4,6-8,11,13,15,20H,5,9-10,12,14H2,(H,21,23)