1-(2-azanyl-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol

Systemtic Name: 1-(2-azanyl-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Openeye Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol CAS Name: 1-(2-amino-3-hexyl-1-benzimidazol-1-iumyl)-3-(4-methylphenoxy)-2-propanol IUPAC Name: 1-(2-amino-3-hexylbenzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Traditional Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-methylphenoxy)propan-2-ol Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)C)O

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=C(C=C3)C)O

InChI

InChI=1S/C23H31N3O2/c1-3-4-5-8-15-25-21-9-6-7-10-22(21)26(23(25)24)16-19(27)17-28-20-13-11-18(2)12-14-20/h6-7,9-14,19,24,27H,3-5,8,15-17H2,1-2H3/p+1