1-[3-(3-azanyl-1H-isoindol-2-ium-2-yl)phenyl]ethanone

Systemtic Name: 1-[3-(3-azanyl-1H-isoindol-2-ium-2-yl)phenyl]ethanone Openeye Name: 1-[3-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]ethanone CAS Name: 1-[3-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]ethanone IUPAC Name: 1-[3-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]ethanone Traditional Name: 1-[3-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]ethanone Formula: C16H15N2O+ MolecularWeight: 251.3031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O/c1-11(19)12-6-4-7-14(9-12)18-10-13-5-2-3-8-15(13)16(18)17/h2-9,17H,10H2,1H3/p+1