2-[5-[(3-chlorophenyl)carbamoyl]-2-oxidanylidene-3H-benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxidanylidene-3H-benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxo-3H-benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[5-[(3-chloroanilino)-oxomethyl]-2-oxo-3H-benzimidazol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[5-[(3-chlorophenyl)carbamoyl]-2-oxo-3H-benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[5-[(3-chlorophenyl)carbamoyl]-2-keto-3H-benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl)NC1=O

Isomeric SMILES

CC[NH+](CC)CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl)NC1=O

InChI

InChI=1S/C20H23ClN4O2/c1-3-24(4-2)10-11-25-18-9-8-14(12-17(18)23-20(25)27)19(26)22-16-7-5-6-15(21)13-16/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,26)(H,23,27)/p+1