N-(3-azanyl-1H-isoindol-2-ium-2-yl)-3,4-dimethoxy-benzamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-3,4-dimethoxy-benzamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3,4-dimethoxy-benzamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3,4-dimethoxybenzamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3,4-dimethoxybenzamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3,4-dimethoxy-benzamide Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)17(21)19-20-10-12-5-3-4-6-13(12)16(20)18/h3-9,18H,10H2,1-2H3,(H,19,21)/p+1