butyl-methyl-[(2R)-3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: butyl-methyl-[(2R)-3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: butyl-[(2R)-2-hydroxy-3-[2-(1-naphthylmethyl)benzimidazol-1-yl]propyl]-methyl-ammonium CAS Name: butyl-[(2R)-2-hydroxy-3-[2-(1-naphthalenylmethyl)-1-benzimidazolyl]propyl]-methylammonium IUPAC Name: butyl-[(2R)-2-hydroxy-3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propyl]-methylazanium Traditional Name: butyl-[(2R)-2-hydroxy-3-[2-(1-naphthylmethyl)benzimidazol-1-yl]propyl]-methyl-ammonium Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(CN1C2=CC=CC=C2N=C1CC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CCCC[NH+](C)C[C@@H](CN1C2=CC=CC=C2N=C1CC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C26H31N3O/c1-3-4-16-28(2)18-22(30)19-29-25-15-8-7-14-24(25)27-26(29)17-21-12-9-11-20-10-5-6-13-23(20)21/h5-15,22,30H,3-4,16-19H2,1-2H3/p+1/t22-/m0/s1