[(2R)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [(2R)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: benzyl-[(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-isopropyl-ammonium Formula: C27H32N3O+ MolecularWeight: 414.56248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC(CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)C[C@@H](CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

InChI

InChI=1S/C27H31N3O/c1-21(2)29(18-23-13-7-4-8-14-23)19-24(31)20-30-26-16-10-9-15-25(26)28-27(30)17-22-11-5-3-6-12-22/h3-16,21,24,31H,17-20H2,1-2H3/p+1/t24-/m0/s1