2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium

Systemtic Name: 2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium Openeye Name: 2-[(2-isopropyl-5-methyl-phenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium CAS Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium Traditional Name: 2-[(2-isopropyl-5-methyl-phenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC2=CC=CC=C21)COC3=C(C=CC(=C3)C)C(C)C

Isomeric SMILES

CCC[N+]1=C(NC2=CC=CC=C21)COC3=C(C=CC(=C3)C)C(C)C

InChI

InChI=1S/C21H26N2O/c1-5-12-23-19-9-7-6-8-18(19)22-21(23)14-24-20-13-16(4)10-11-17(20)15(2)3/h6-11,13,15H,5,12,14H2,1-4H3/p+1