N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-[2,4-bis(chloranyl)phenoxy]butanamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-[2,4-bis(chloranyl)phenoxy]butanamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(2,4-dichlorophenoxy)butanamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(2,4-dichlorophenoxy)butanamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(2,4-dichlorophenoxy)butanamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(2,4-dichlorophenoxy)butyramide Formula: C18H18Cl2N3O2+ MolecularWeight: 379.26042

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)N

InChI

InChI=1S/C18H17Cl2N3O2/c19-13-7-8-16(15(20)10-13)25-9-3-6-17(24)22-23-11-12-4-1-2-5-14(12)18(23)21/h1-2,4-5,7-8,10,21H,3,6,9,11H2,(H,22,24)/p+1