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

Systemtic Name: 2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-3-prop-2-enyl-1H-benzimidazol-3-ium Openeye Name: 3-allyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-benzimidazol-3-ium CAS Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-3-prop-2-enyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-3-prop-2-enyl-1H-benzimidazol-3-ium Traditional Name: 3-allyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-benzimidazol-3-ium Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=[N+](C3=CC=CC=C3N2)CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=[N+](C3=CC=CC=C3N2)CC=C

InChI

InChI=1S/C21H24N2O/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/h5-11,13,15H,1,12,14H2,2-4H3/p+1