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

Systemtic Name: 1-(3-ethylbenzimidazol-1-ium-1-yl)-3-(3-ethyl-5-methyl-phenoxy)propan-2-ol Openeye Name: 1-(3-ethylbenzimidazol-1-ium-1-yl)-3-(3-ethyl-5-methyl-phenoxy)propan-2-ol CAS Name: 1-(3-ethyl-1-benzimidazol-1-iumyl)-3-(3-ethyl-5-methylphenoxy)-2-propanol IUPAC Name: 1-(3-ethylbenzimidazol-1-ium-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol Traditional Name: 1-(3-ethylbenzimidazol-1-ium-1-yl)-3-(3-ethyl-5-methyl-phenoxy)propan-2-ol Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)OCC(C[N+]2=CN(C3=CC=CC=C32)CC)O

Isomeric SMILES

CCC1=CC(=CC(=C1)C)OCC(C[N+]2=CN(C3=CC=CC=C32)CC)O

InChI

InChI=1S/C21H27N2O2/c1-4-17-10-16(3)11-19(12-17)25-14-18(24)13-23-15-22(5-2)20-8-6-7-9-21(20)23/h6-12,15,18,24H,4-5,13-14H2,1-3H3/q+1