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

Systemtic Name: butyl-methyl-[(2R)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]azanium Openeye Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-butyl-methyl-ammonium CAS Name: butyl-[(2R)-2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propyl]-methylammonium IUPAC Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropyl]-butyl-methylazanium Traditional Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-butyl-methyl-ammonium Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-3-4-14-24(2)16-19(26)17-25-21-13-9-8-12-20(21)23-22(25)15-18-10-6-5-7-11-18/h5-13,19,26H,3-4,14-17H2,1-2H3/p+1/t19-/m0/s1