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

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)propan-1-one bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)propan-1-one bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)-1-propanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)propan-1-one bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)propan-1-one bromide Formula: C18H19BrN2O2 MolecularWeight: 375.25966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2.BrH/c1-12(17(21)13-7-9-15(22-2)10-8-13)20-11-14-5-3-4-6-16(14)18(20)19;/h3-10,12,19H,11H2,1-2H3;1H