3-[1,1-bis(3,5-dimethylphenyl)-3-(phenylmethyl)-2H-imidazol-1-ium-4-yl]propan-1-ol

Systemtic Name: 3-[1,1-bis(3,5-dimethylphenyl)-3-(phenylmethyl)-2H-imidazol-1-ium-4-yl]propan-1-ol Openeye Name: 3-[3-benzyl-1,1-bis(3,5-dimethylphenyl)-2H-imidazol-1-ium-4-yl]propan-1-ol CAS Name: 3-[1,1-bis(3,5-dimethylphenyl)-3-(phenylmethyl)-2H-imidazol-1-ium-4-yl]-1-propanol IUPAC Name: 3-[3-benzyl-1,1-bis(3,5-dimethylphenyl)-2H-imidazol-1-ium-4-yl]propan-1-ol Traditional Name: 3-[3-benzyl-1,1-bis(3,5-dimethylphenyl)-4-imidazolin-1-ium-4-yl]propan-1-ol Formula: C29H35N2O+ MolecularWeight: 427.601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N+]2(CN(C(=C2)CCCO)CC3=CC=CC=C3)C4=CC(=CC(=C4)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)[N+]2(CN(C(=C2)CCCO)CC3=CC=CC=C3)C4=CC(=CC(=C4)C)C)C

InChI

InChI=1S/C29H35N2O/c1-22-13-23(2)16-28(15-22)31(29-17-24(3)14-25(4)18-29)20-27(11-8-12-32)30(21-31)19-26-9-6-5-7-10-26/h5-7,9-10,13-18,20,32H,8,11-12,19,21H2,1-4H3/q+1