5-bromanyl-3-[(3,4-dimethylphenyl)amino]indol-1-ium-2-one

Systemtic Name: 5-bromanyl-3-[(3,4-dimethylphenyl)amino]indol-1-ium-2-one Openeye Name: 5-bromo-3-(3,4-dimethylanilino)indol-1-ium-2-one CAS Name: 5-bromo-3-(3,4-dimethylanilino)-2-indol-1-iumone IUPAC Name: 5-bromo-3-(3,4-dimethylanilino)indol-1-ium-2-one Traditional Name: 5-bromo-3-(3,4-dimethylanilino)indol-1-ium-2-one Formula: C16H14BrN2O+ MolecularWeight: 330.19916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C3C=C(C=CC3=[NH+]C2=O)Br)C

InChI

InChI=1S/C16H13BrN2O/c1-9-3-5-12(7-10(9)2)18-15-13-8-11(17)4-6-14(13)19-16(15)20/h3-8H,1-2H3,(H,18,19,20)/p+1