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

Systemtic Name: dibutyl-[(2R)-3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: dibutyl-[(2R)-2-hydroxy-3-[2-(1-naphthylmethyl)benzimidazol-1-yl]propyl]ammonium CAS Name: dibutyl-[(2R)-2-hydroxy-3-[2-(1-naphthalenylmethyl)-1-benzimidazolyl]propyl]ammonium IUPAC Name: dibutyl-[(2R)-2-hydroxy-3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propyl]azanium Traditional Name: dibutyl-[(2R)-2-hydroxy-3-[2-(1-naphthylmethyl)benzimidazol-1-yl]propyl]ammonium Formula: C29H38N3O+ MolecularWeight: 444.63152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3O/c1-3-5-18-31(19-6-4-2)21-25(33)22-32-28-17-10-9-16-27(28)30-29(32)20-24-14-11-13-23-12-7-8-15-26(23)24/h7-17,25,33H,3-6,18-22H2,1-2H3/p+1/t25-/m0/s1