2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone Formula: C18H19N2O3+ MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3/c1-22-16-8-7-12(9-17(16)23-2)15(21)11-20-10-13-5-3-4-6-14(13)18(20)19/h3-9,19H,10-11H2,1-2H3/p+1