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

Systemtic Name: methanesulfonate; 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-1-methyl-3-propyl-benzimidazol-1-ium Openeye Name: methanesulfonate; 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-1-methyl-3-propyl-benzimidazol-1-ium CAS Name: methanesulfonate; 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-1-methyl-3-propylbenzimidazol-1-ium IUPAC Name: methanesulfonate; 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-1-methyl-3-propylbenzimidazol-1-ium Traditional Name: 2-[4-[4-(4-methoxyphenyl)phenyl]phenyl]-1-methyl-3-propyl-benzimidazol-1-ium mesylate Formula: C31H32N2O4S MolecularWeight: 528.66178

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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)C5=CC=C(C=C5)OC)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)OC)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C30H29N2O.CH4O3S/c1-4-21-32-29-8-6-5-7-28(29)31(2)30(32)26-15-13-24(14-16-26)22-9-11-23(12-10-22)25-17-19-27(33-3)20-18-25;1-5(2,3)4/h5-20H,4,21H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1