2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone Formula: C18H19N2O+ MolecularWeight: 279.35626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C18H18N2O/c1-12-7-8-13(2)16(9-12)17(21)11-20-10-14-5-3-4-6-15(14)18(20)19/h3-9,19H,10-11H2,1-2H3/p+1