butyl-methyl-[(2R)-2-oxidanyl-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]azanium

Systemtic Name: butyl-methyl-[(2R)-2-oxidanyl-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]azanium Openeye Name: butyl-[(2R)-2-hydroxy-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]-methyl-ammonium CAS Name: butyl-[(2R)-2-hydroxy-3-[2-[(4-phenylphenyl)methyl]-1-benzimidazolyl]propyl]-methylammonium IUPAC Name: butyl-[(2R)-2-hydroxy-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]-methylazanium Traditional Name: butyl-[(2R)-2-hydroxy-3-[2-(4-phenylbenzyl)benzimidazol-1-yl]propyl]-methyl-ammonium Formula: C28H34N3O+ MolecularWeight: 428.58906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCC[NH+](C)C[C@@H](CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H33N3O/c1-3-4-18-30(2)20-25(32)21-31-27-13-9-8-12-26(27)29-28(31)19-22-14-16-24(17-15-22)23-10-6-5-7-11-23/h5-17,25,32H,3-4,18-21H2,1-2H3/p+1/t25-/m0/s1