3-[2-(4-azanylbutyl)-1H-indol-3-yl]-2-oxidanylidene-3-(1-propylindol-3-yl)-1H-imidazol-3-ium-5-carbonitrile

Systemtic Name: 3-[2-(4-azanylbutyl)-1H-indol-3-yl]-2-oxidanylidene-3-(1-propylindol-3-yl)-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-2-oxo-3-(1-propylindol-3-yl)-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-2-oxo-3-(1-propyl-3-indolyl)-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-2-oxo-3-(1-propylindol-3-yl)-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-2-keto-1-(1-propylindol-3-yl)-4-imidazolin-1-ium-4-carbonitrile Formula: C27H29N6O+ MolecularWeight: 453.55876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCN

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCN

InChI

InChI=1S/C27H28N6O/c1-2-15-32-17-25(21-10-4-6-13-24(21)32)33(18-19(16-29)30-27(33)34)26-20-9-3-5-11-22(20)31-23(26)12-7-8-14-28/h3-6,9-11,13,17-18,31H,2,7-8,12,14-15,28H2,1H3/p+1