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

Systemtic Name: 3-[2-(3-azanylpropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(benzothiophen-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(3-aminopropyl)-1H-indol-3-yl]-1-(benzothiophen-3-yl)-2-keto-4-imidazolin-1-ium-4-carbonitrile Formula: C23H20N5OS+ MolecularWeight: 414.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)CCCN)[N+]3(C=C(NC3=O)C#N)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)CCCN)[N+]3(C=C(NC3=O)C#N)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C23H19N5OS/c24-11-5-9-19-22(16-6-1-3-8-18(16)27-19)28(13-15(12-25)26-23(28)29)20-14-30-21-10-4-2-7-17(20)21/h1-4,6-8,10,13-14,27H,5,9,11,24H2/p+1