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

Systemtic Name: 3-[2-(4-azanylbutyl)-1H-indol-3-yl]-3-(4-tert-butylphenyl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(4-tert-butylphenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(4-tert-butylphenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(4-tert-butylphenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-1-(4-tert-butylphenyl)-2-keto-4-imidazolin-1-ium-4-carbonitrile Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[N+]2(C=C(NC2=O)C#N)C3=C(NC4=CC=CC=C43)CCCCN

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[N+]2(C=C(NC2=O)C#N)C3=C(NC4=CC=CC=C43)CCCCN

InChI

InChI=1S/C26H29N5O/c1-26(2,3)18-11-13-20(14-12-18)31(17-19(16-28)29-25(31)32)24-21-8-4-5-9-22(21)30-23(24)10-6-7-15-27/h4-5,8-9,11-14,17,30H,6-7,10,15,27H2,1-3H3/p+1