(Z)-[(5-bromanyl-2-oxidanylidene-indol-1-ium-3-yl)amino]-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]azanium

Systemtic Name: (Z)-[(5-bromanyl-2-oxidanylidene-indol-1-ium-3-yl)amino]-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]azanium Openeye Name: (Z)-[(5-bromo-2-oxo-indol-1-ium-3-yl)amino]-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]ammonium CAS Name: (Z)-[(5-bromo-2-oxo-3-indol-1-iumyl)amino]-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]ammonium IUPAC Name: (Z)-[(5-bromo-2-oxoindol-1-ium-3-yl)amino]-[(3R)-3-phenyl-3,4-dihydropyrazol-5-ylidene]azanium Traditional Name: (Z)-[(5-bromo-2-keto-indol-1-ium-3-yl)amino]-[(5R)-5-phenyl-1-pyrazolin-3-ylidene]ammonium Formula: C17H14BrN5O+2 MolecularWeight: 384.22996

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=NC1=[NH+]NC2=C3C=C(C=CC3=[NH+]C2=O)Br)C4=CC=CC=C4

Isomeric SMILES

C\1[C@@H](N=N/C1=[NH+]\NC2=C3C=C(C=CC3=[NH+]C2=O)Br)C4=CC=CC=C4

InChI

InChI=1S/C17H12BrN5O/c18-11-6-7-13-12(8-11)16(17(24)19-13)23-22-15-9-14(20-21-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,23,24)/p+2/b22-15-/t14-/m1/s1