1-(4-hexoxyphenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol

Systemtic Name: 1-(4-hexoxyphenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Openeye Name: 1-(4-hexoxyphenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol CAS Name: 1-(4-hexoxyphenoxy)-3-(3-methyl-1-benzimidazol-3-iumyl)-2-propanol IUPAC Name: 1-(4-hexoxyphenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Traditional Name: 1-(4-hexoxyphenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OCC(CN2C=[N+](C3=CC=CC=C32)C)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OCC(CN2C=[N+](C3=CC=CC=C32)C)O

InChI

InChI=1S/C23H31N2O3/c1-3-4-5-8-15-27-20-11-13-21(14-12-20)28-17-19(26)16-25-18-24(2)22-9-6-7-10-23(22)25/h6-7,9-14,18-19,26H,3-5,8,15-17H2,1-2H3/q+1