1-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol

Systemtic Name: 1-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol Openeye Name: 1-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol CAS Name: 1-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)-2-propanol IUPAC Name: 1-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol Traditional Name: 1-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2N1)CC(COC3=C(C=CC(=C3)C)C(C)C)O

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2N1)CC(COC3=C(C=CC(=C3)C)C(C)C)O

InChI

InChI=1S/C22H28N2O2/c1-5-22-23-19-8-6-7-9-20(19)24(22)13-17(25)14-26-21-12-16(4)10-11-18(21)15(2)3/h6-12,15,17,25H,5,13-14H2,1-4H3/p+1