cyclohexyl-[(2S)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2S)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-methoxyphenyl)methyl]-1-benzimidazolyl]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-(2-p-anisylbenzimidazol-1-yl)propyl]-methyl-ammonium Formula: C25H34N3O2+ MolecularWeight: 408.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC)O)C4CCCCC4

Isomeric SMILES

C[NH+](C[C@H](CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC)O)C4CCCCC4

InChI

InChI=1S/C25H33N3O2/c1-27(20-8-4-3-5-9-20)17-21(29)18-28-24-11-7-6-10-23(24)26-25(28)16-19-12-14-22(30-2)15-13-19/h6-7,10-15,20-21,29H,3-5,8-9,16-18H2,1-2H3/p+1/t21-/m1/s1