[(1S)-1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[1-[2-(4-tert-butylphenoxy)ethyl]-2-benzimidazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1CCOC3=CC=C(C=C3)C(C)(C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1CCOC3=CC=C(C=C3)C(C)(C)C)[NH3+]

InChI

InChI=1S/C21H27N3O/c1-15(22)20-23-18-7-5-6-8-19(18)24(20)13-14-25-17-11-9-16(10-12-17)21(2,3)4/h5-12,15H,13-14,22H2,1-4H3/p+1/t15-/m0/s1