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

Systemtic Name: 3-[2-(4-azanylbutyl)-1H-indol-3-yl]-2-oxidanylidene-3-(4-phenoxyphenyl)-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-2-oxo-3-(4-phenoxyphenyl)-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-2-oxo-3-(4-phenoxyphenyl)-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-2-oxo-3-(4-phenoxyphenyl)-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-2-keto-1-(4-phenoxyphenyl)-4-imidazolin-1-ium-4-carbonitrile Formula: C28H26N5O2+ MolecularWeight: 464.53834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)CCCCN

InChI

InChI=1S/C28H25N5O2/c29-17-7-6-12-26-27(24-10-4-5-11-25(24)32-26)33(19-20(18-30)31-28(33)34)21-13-15-23(16-14-21)35-22-8-2-1-3-9-22/h1-5,8-11,13-16,19,32H,6-7,12,17,29H2/p+1