1-(4-cyclopent-2-en-1-ylphenoxy)-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride

Systemtic Name: 1-(4-cyclopent-2-en-1-ylphenoxy)-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride Openeye Name: 1-(4-cyclopent-2-en-1-ylphenoxy)-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride CAS Name: 1-[4-(1-cyclopent-2-enyl)phenoxy]-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)-2-propanol chloride IUPAC Name: 1-(4-cyclopent-2-en-1-ylphenoxy)-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride Traditional Name: 1-(4-cyclopent-2-en-1-ylphenoxy)-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)propan-2-ol chloride Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1)CC(COC3=CC=C(C=C3)C4CCC=C4)O.[Cl-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1)CC(COC3=CC=C(C=C3)C4CCC=C4)O.[Cl-]

InChI

InChI=1S/C22H24N2O2.ClH/c1-16-23-21-8-4-5-9-22(21)24(16)14-19(25)15-26-20-12-10-18(11-13-20)17-6-2-3-7-17;/h2,4-6,8-13,17,19,25H,3,7,14-15H2,1H3;1H