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

Systemtic Name: 3-[2-(3-azanylpropyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(3-aminopropyl)-1H-indol-3-yl]-1-(1H-indol-3-yl)-2-keto-4-imidazolin-1-ium-4-carbonitrile Formula: C23H21N6O+ MolecularWeight: 397.45244

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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)CCCN

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6O/c24-11-5-10-20-22(17-7-2-4-9-19(17)28-20)29(14-15(12-25)27-23(29)30)21-13-26-18-8-3-1-6-16(18)21/h1-4,6-9,13-14,26,28H,5,10-11,24H2/p+1