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

Systemtic Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]propyl]azanium Openeye Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]propyl]ammonium CAS Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)-2-benzimidazolyl]propyl]ammonium IUPAC Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]propyl]azanium Traditional Name: [(1S)-1-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]propyl]ammonium Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1CCCCOC3=CC=CC=C3)C=C(C(=C2)C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=NC2=C(N1CCCCOC3=CC=CC=C3)C=C(C(=C2)C)C)[NH3+]

InChI

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