[(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)-2-benzimidazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)C(C)[NH3+])CCCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)[C@H](C)[NH3+])CCCCOC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-15-13-19-20(14-16(15)2)24(21(23-19)17(3)22)11-7-8-12-25-18-9-5-4-6-10-18/h4-6,9-10,13-14,17H,7-8,11-12,22H2,1-3H3/p+1/t17-/m0/s1