2-[3-[5-[azaniumylidene(azanyl)methyl]-2H-indol-1-ium-2-yl]-5-bromanyl-4-oxidanidyl-phenyl]ethanoate

Systemtic Name: 2-[3-[5-[azaniumylidene(azanyl)methyl]-2H-indol-1-ium-2-yl]-5-bromanyl-4-oxidanidyl-phenyl]ethanoate Openeye Name: 2-[3-[5-[amino(azaniumylidene)methyl]-2H-indol-1-ium-2-yl]-5-bromo-4-oxido-phenyl]acetate CAS Name: 2-[3-[5-[amino(iminio)methyl]-2H-indol-1-ium-2-yl]-5-bromo-4-oxidophenyl]acetate IUPAC Name: 2-[3-[5-[amino(azaniumylidene)methyl]-2H-indol-1-ium-2-yl]-5-bromo-4-oxidophenyl]acetate Traditional Name: 2-[3-[5-[amino(iminio)methyl]-2H-indol-1-ium-2-yl]-5-bromo-4-oxido-phenyl]acetate Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[NH+]C(C=C2C=C1C(=[NH2+])N)C3=CC(=CC(=C3[O-])Br)CC(=O)[O-]

Isomeric SMILES

C1=CC2=[NH+]C(C=C2C=C1C(=[NH2+])N)C3=CC(=CC(=C3[O-])Br)CC(=O)[O-]

InChI

InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,14,24H,5H2,(H3,19,20)(H,22,23)