(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl-methyl-(2-thenyl)ammonium Formula: C20H27N4O3S2+ MolecularWeight: 435.58338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+](C)CC4=CC=CS4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+](C)CC4=CC=CS4

InChI

InChI=1S/C20H26N4O3S2/c1-3-24-19-7-6-17(29(25,26)23-8-10-27-11-9-23)13-18(19)21-20(24)15-22(2)14-16-5-4-12-28-16/h4-7,12-13H,3,8-11,14-15H2,1-2H3/p+1