1-(3-azanylpropyl)-3-[3-(5-fluoranyl-1-methyl-indol-3-yl)-5-oxidanylidene-1H-1,2,4-triazol-4-yl]indol-1-ium-1-carbonitrile

Systemtic Name: 1-(3-azanylpropyl)-3-[3-(5-fluoranyl-1-methyl-indol-3-yl)-5-oxidanylidene-1H-1,2,4-triazol-4-yl]indol-1-ium-1-carbonitrile Openeye Name: 1-(3-aminopropyl)-3-[3-(5-fluoro-1-methyl-indol-3-yl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-ium-1-carbonitrile CAS Name: 1-(3-aminopropyl)-3-[3-(5-fluoro-1-methyl-3-indolyl)-5-oxo-1H-1,2,4-triazol-4-yl]-1-indol-1-iumcarbonitrile IUPAC Name: 1-(3-aminopropyl)-3-[3-(5-fluoro-1-methylindol-3-yl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-ium-1-carbonitrile Traditional Name: 1-(3-aminopropyl)-3-[3-(5-fluoro-1-methyl-indol-3-yl)-5-keto-1H-1,2,4-triazol-4-yl]indol-1-ium-1-carbonitrile Formula: C23H21FN7O+ MolecularWeight: 430.457543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)F)C3=NNC(=O)N3C4=C[N+](C5=CC=CC=C54)(CCCN)C#N

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)F)C3=NNC(=O)N3C4=C[N+](C5=CC=CC=C54)(CCCN)C#N

InChI

InChI=1S/C23H20FN7O/c1-29-12-18(17-11-15(24)7-8-19(17)29)22-27-28-23(32)30(22)20-13-31(14-26,10-4-9-25)21-6-3-2-5-16(20)21/h2-3,5-8,11-13H,4,9-10,25H2,1H3/p+1