2-[5-[azaniumylidene(azanyl)methyl]-2H-indol-1-ium-2-yl]-6-bromanyl-4-methyl-phenolate

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-2H-indol-1-ium-2-yl]-6-bromanyl-4-methyl-phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-2H-indol-1-ium-2-yl]-6-bromo-4-methyl-phenolate CAS Name: 2-[5-[amino(iminio)methyl]-2H-indol-1-ium-2-yl]-6-bromo-4-methylphenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-2H-indol-1-ium-2-yl]-6-bromo-4-methylphenolate Traditional Name: 2-[5-[amino(iminio)methyl]-2H-indol-1-ium-2-yl]-6-bromo-4-methyl-phenolate Formula: C16H15BrN3O+ MolecularWeight: 345.2138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C=C3C=C(C=CC3=[NH+]2)C(=[NH2+])N)[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C=C3C=C(C=CC3=[NH+]2)C(=[NH2+])N)[O-])Br

InChI

InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,14,21H,1H3,(H3,18,19)/p+1