1-[[2-[(4-chloranylphenoxy)methyl]benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[2-[(4-chloranylphenoxy)methyl]benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-[(4-chlorophenoxy)methyl]-1-benzimidazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4O2/c22-16-5-7-17(8-6-16)28-13-20-24-18-3-1-2-4-19(18)26(20)14-25-11-9-15(10-12-25)21(23)27/h1-8,15H,9-14H2,(H2,23,27)/p+1