5-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-3-yl]-1H-indol-2-yl]pentanimidamide

Systemtic Name: 5-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-3-yl]-1H-indol-2-yl]pentanimidamide Openeye Name: 5-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-3-ium-3-yl]-1H-indol-2-yl]pentanamidine CAS Name: 5-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-3-ium-3-yl]-1H-indol-2-yl]pentanimidamide IUPAC Name: 5-[3-[5-cyano-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-3-ium-3-yl]-1H-indol-2-yl]pentanimidamide Traditional Name: 5-[3-[4-cyano-1-(1H-indol-3-yl)-2-keto-4-imidazolin-1-ium-1-yl]-1H-indol-2-yl]valeramidine Formula: C25H24N7O+ MolecularWeight: 438.50436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCC(=N)N

InChI

InChI=1S/C25H23N7O/c26-13-16-15-32(25(33)30-16,22-14-29-19-9-3-1-7-17(19)22)24-18-8-2-4-10-20(18)31-21(24)11-5-6-12-23(27)28/h1-4,7-10,14-15,29,31H,5-6,11-12H2,(H3-,27,28,30,33)/p+1