N-[3-(1H-benzimidazol-3-ium-2-yl)-4-oxidanyl-phenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-(1H-benzimidazol-3-ium-2-yl)-4-oxidanyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[3-(1H-benzimidazol-3-ium-2-yl)-4-hydroxy-phenyl]cyclohexanecarboxamide CAS Name: N-[3-(1H-benzimidazol-3-ium-2-yl)-4-hydroxyphenyl]cyclohexanecarboxamide IUPAC Name: N-[3-(1H-benzimidazol-3-ium-2-yl)-4-hydroxyphenyl]cyclohexanecarboxamide Traditional Name: N-[3-(1H-benzimidazol-3-ium-2-yl)-4-hydroxy-phenyl]cyclohexanecarboxamide Formula: C20H22N3O2+ MolecularWeight: 336.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)O)C3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)O)C3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C20H21N3O2/c24-18-11-10-14(21-20(25)13-6-2-1-3-7-13)12-15(18)19-22-16-8-4-5-9-17(16)23-19/h4-5,8-13,24H,1-3,6-7H2,(H,21,25)(H,22,23)/p+1