methanesulfonate; 2-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-propyl-benzimidazol-1-ium

Systemtic Name: methanesulfonate; 2-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-propyl-benzimidazol-1-ium Openeye Name: methanesulfonate; 2-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-propyl-benzimidazol-1-ium CAS Name: methanesulfonate; 2-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-propylbenzimidazol-1-ium IUPAC Name: methanesulfonate; 2-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-propylbenzimidazol-1-ium Traditional Name: 2-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-propyl-benzimidazol-1-ium mesylate Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)C4=CC=C(C=C4)OC)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)C4=CC=C(C=C4)OC)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C24H25N2O.CH4O3S/c1-4-17-26-23-8-6-5-7-22(23)25(2)24(26)20-11-9-18(10-12-20)19-13-15-21(27-3)16-14-19;1-5(2,3)4/h5-16H,4,17H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1