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

Systemtic Name: 1-(2-azanyl-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol Openeye Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol CAS Name: 1-(2-amino-3-hexyl-1-benzimidazol-1-iumyl)-3-(4-methoxyphenoxy)-2-propanol IUPAC Name: 1-(2-amino-3-hexylbenzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol Traditional Name: 1-(2-amino-3-hexyl-benzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-3-4-5-8-15-25-21-9-6-7-10-22(21)26(23(25)24)16-18(27)17-29-20-13-11-19(28-2)12-14-20/h6-7,9-14,18,24,27H,3-5,8,15-17H2,1-2H3/p+1