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

Systemtic Name: 3-[2-(4-azanylbutyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-1-(1H-indol-3-yl)-2-keto-4-imidazolin-1-ium-4-carbonitrile Formula: C24H23N6O+ MolecularWeight: 411.47902

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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)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C24H22N6O/c25-12-6-5-11-21-23(18-8-2-4-10-20(18)29-21)30(15-16(13-26)28-24(30)31)22-14-27-19-9-3-1-7-17(19)22/h1-4,7-10,14-15,27,29H,5-6,11-12,25H2/p+1