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

Systemtic Name: 1-(2-azanyl-3-pentyl-benzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Openeye Name: 1-(2-amino-3-pentyl-benzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol CAS Name: 1-(2-amino-3-pentyl-1-benzimidazol-1-iumyl)-3-(2-methylphenoxy)-2-propanol IUPAC Name: 1-(2-amino-3-pentylbenzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Traditional Name: 1-(2-amino-3-amyl-benzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3C)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3C)O

InChI

InChI=1S/C22H29N3O2/c1-3-4-9-14-24-19-11-6-7-12-20(19)25(22(24)23)15-18(26)16-27-21-13-8-5-10-17(21)2/h5-8,10-13,18,23,26H,3-4,9,14-16H2,1-2H3/p+1