2-[2-azanyl-3-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[2-(3,4-dichlorophenyl)-2-keto-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C21H26Cl2N4O+2 MolecularWeight: 421.36334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N4O/c1-3-25(4-2)11-12-26-18-7-5-6-8-19(18)27(21(26)24)14-20(28)15-9-10-16(22)17(23)13-15/h5-10,13,24H,3-4,11-12,14H2,1-2H3/p+2