1-oxidanidyl-N-[3-[3-(phenylazanylmethyl)phenoxy]propyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[3-[3-(phenylazanylmethyl)phenoxy]propyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[3-(anilinomethyl)phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[3-(anilinomethyl)phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[3-(anilinomethyl)phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[3-(anilinomethyl)phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC2=CC(=CC=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NCC2=CC(=CC=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H23N3O3/c26-22(19-8-5-13-25(27)17-19)23-12-6-14-28-21-11-4-7-18(15-21)16-24-20-9-2-1-3-10-20/h1-5,7-11,13,15,17,24H,6,12,14,16H2,(H,23,26)