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

Systemtic Name: 3-[2-(4-azanylbutyl)-1H-indol-3-yl]-3-(4-methoxyphenyl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(4-aminobutyl)-1H-indol-3-yl]-3-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(4-aminobutyl)-1H-indol-3-yl]-2-keto-1-(4-methoxyphenyl)-4-imidazolin-1-ium-4-carbonitrile Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2(C=C(NC2=O)C#N)C3=C(NC4=CC=CC=C43)CCCCN

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2(C=C(NC2=O)C#N)C3=C(NC4=CC=CC=C43)CCCCN

InChI

InChI=1S/C23H23N5O2/c1-30-18-11-9-17(10-12-18)28(15-16(14-25)26-23(28)29)22-19-6-2-3-7-20(19)27-21(22)8-4-5-13-24/h2-3,6-7,9-12,15,27H,4-5,8,13,24H2,1H3/p+1