1-(3-chlorophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Openeye Name: 1-(3-chlorophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide CAS Name: 1-(3-chlorophenyl)-2-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-5-benzimidazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Traditional Name: 1-(3-chlorophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC(=CC=C3)Cl)C=CC(=C2)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=NC2=C(N1C3=CC(=CC=C3)Cl)C=CC(=C2)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H23ClN4O2/c1-15-24-19-13-16(21(27)23-7-8-25-9-11-28-12-10-25)5-6-20(19)26(15)18-4-2-3-17(22)14-18/h2-6,13-14H,7-12H2,1H3,(H,23,27)/p+1