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

Systemtic Name: 1-oxidanidyl-N-[3-[3-[(prop-2-enylamino)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[3-[(allylamino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[3-[3-[(prop-2-enylamino)methyl]phenoxy]propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[3-[3-[(prop-2-enylamino)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide Traditional Name: N-[3-[3-[(allylamino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H23N3O3 MolecularWeight: 341.40422

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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/C19H23N3O3/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/h2-4,6-8,11,13,15,20H,1,5,9-10,12,14H2,(H,21,23)