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

Systemtic Name: 3-[2-(3-azanylpropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile; ethanoic acid Openeye Name: acetic acid; 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(benzothiophen-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: acetic acid; 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: acetic acid; 3-[2-(3-aminopropyl)-1H-indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: acetic acid; 1-[2-(3-aminopropyl)-1H-indol-3-yl]-1-(benzothiophen-3-yl)-2-keto-4-imidazolin-1-ium-4-carbonitrile Formula: C25H24N5O3S+ MolecularWeight: 474.55476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)O.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.C2H4O2/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;1-2(3)4/h1-4,6-8,10,13-14,27H,5,9,11,24H2;1H3,(H,3,4)/p+1