[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophen-2-yl]methylazanium

Systemtic Name: [5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophen-2-yl]methylazanium Openeye Name: [5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thienyl]methylammonium CAS Name: [5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenyl]methylammonium IUPAC Name: [5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophen-2-yl]methylazanium Traditional Name: [5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-mesylbenzyl)oxy-2-thienyl]methylammonium Formula: C22H24N3O5S2+ MolecularWeight: 474.57306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C[NH3+])OCC4=CC=CC=C4S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C[NH3+])OCC4=CC=CC=C4S(=O)(=O)C)OC

InChI

InChI=1S/C22H23N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,11-12,23H2,1-3H3/p+1