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

Systemtic Name: cyclohexyl-[(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]-2-hydroxypropyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxypropyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-(2-veratrylbenzimidazol-1-yl)propyl]-methyl-ammonium Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3/c1-28(20-9-5-4-6-10-20)17-21(30)18-29-23-12-8-7-11-22(23)27-26(29)16-19-13-14-24(31-2)25(15-19)32-3/h7-8,11-15,20-21,30H,4-6,9-10,16-18H2,1-3H3/p+1/t21-/m1/s1