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

Systemtic Name: 3-[2-(4-azanylbutyl)-1H-indol-3-yl]-3-(3-nitrophenyl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(3-nitrophenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(3-nitrophenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(3-nitrophenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-2-keto-1-(3-nitrophenyl)-4-imidazolin-1-ium-4-carbonitrile Formula: C22H21N6O3+ MolecularWeight: 417.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)CCCCN)[N+]3(C=C(NC3=O)C#N)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)CCCCN)[N+]3(C=C(NC3=O)C#N)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3/c23-11-4-3-10-20-21(18-8-1-2-9-19(18)26-20)28(14-15(13-24)25-22(28)29)17-7-5-6-16(12-17)27(30)31/h1-2,5-9,12,14,26H,3-4,10-11,23H2/p+1