2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-bromophenyl)propan-1-one

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-bromophenyl)propan-1-one Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-bromophenyl)propan-1-one CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-bromophenyl)-1-propanone IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-bromophenyl)propan-1-one Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-bromophenyl)propan-1-one Formula: C17H16BrN2O+ MolecularWeight: 344.22574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O/c1-11(16(21)12-6-8-14(18)9-7-12)20-10-13-4-2-3-5-15(13)17(20)19/h2-9,11,19H,10H2,1H3/p+1