N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-(4-methoxyphenoxy)ethanamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-(4-methoxyphenoxy)ethanamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-methoxyphenoxy)acetamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-methoxyphenoxy)acetamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-methoxyphenoxy)acetamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-methoxyphenoxy)acetamide Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C17H17N3O3/c1-22-13-6-8-14(9-7-13)23-11-16(21)19-20-10-12-4-2-3-5-15(12)17(20)18/h2-9,18H,10-11H2,1H3,(H,19,21)/p+1