1-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol chloride

Systemtic Name: 1-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol chloride Openeye Name: 1-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol chloride CAS Name: 1-[2-amino-3-[(4-tert-butylphenyl)methyl]-1-benzimidazol-3-iumyl]-3-phenoxy-2-propanol chloride IUPAC Name: 1-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]-3-phenoxypropan-2-ol chloride Traditional Name: 1-[2-amino-3-(4-tert-butylbenzyl)benzimidazol-3-ium-1-yl]-3-phenoxy-propan-2-ol chloride Formula: C27H32ClN3O2 MolecularWeight: 466.01488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(COC4=CC=CC=C4)O)N.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(COC4=CC=CC=C4)O)N.[Cl-]

InChI

InChI=1S/C27H31N3O2.ClH/c1-27(2,3)21-15-13-20(14-16-21)17-29-24-11-7-8-12-25(24)30(26(29)28)18-22(31)19-32-23-9-5-4-6-10-23;/h4-16,22,28,31H,17-19H2,1-3H3;1H