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

Systemtic Name: 3-[2-(4-azanylbutyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(1-methyl-3-indolyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-2-keto-1-(1-methylindol-3-yl)-4-imidazolin-1-ium-4-carbonitrile Formula: C25H25N6O+ MolecularWeight: 425.5056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCN

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCN

InChI

InChI=1S/C25H24N6O/c1-30-15-23(19-9-3-5-12-22(19)30)31(16-17(14-27)28-25(31)32)24-18-8-2-4-10-20(18)29-21(24)11-6-7-13-26/h2-5,8-10,12,15-16,29H,6-7,11,13,26H2,1H3/p+1