2-[2-azanyl-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[2-oxo-2-(2-thienyl)ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-(2-oxo-2-thiophen-2-ylethyl)-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-(2-oxo-2-thiophen-2-ylethyl)benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[2-keto-2-(2-thienyl)ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C19H26N4OS+2 MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CS3

InChI

InChI=1S/C19H24N4OS/c1-3-21(4-2)11-12-22-15-8-5-6-9-16(15)23(19(22)20)14-17(24)18-10-7-13-25-18/h5-10,13,20H,3-4,11-12,14H2,1-2H3/p+2