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

Systemtic Name: butyl-[(2R)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: butyl-[(2R)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propyl]-methyl-ammonium CAS Name: butyl-[(2R)-3-[2-[(4-chlorophenyl)methyl]-1-benzimidazolyl]-2-hydroxypropyl]-methylammonium IUPAC Name: butyl-[(2R)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-hydroxypropyl]-methylazanium Traditional Name: butyl-[(2R)-3-[2-(4-chlorobenzyl)benzimidazol-1-yl]-2-hydroxy-propyl]-methyl-ammonium Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O/c1-3-4-13-25(2)15-19(27)16-26-21-8-6-5-7-20(21)24-22(26)14-17-9-11-18(23)12-10-17/h5-12,19,27H,3-4,13-16H2,1-2H3/p+1/t19-/m0/s1