(5-chloranylthiophen-2-yl)methyl-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-methyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-thienyl)methyl-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-methyl-ammonium Formula: C21H28ClN4O2S2+ MolecularWeight: 468.05562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](C)CC4=CC=C(S4)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](C)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H27ClN4O2S2/c1-3-26-19-9-8-17(30(27,28)25-11-5-4-6-12-25)13-18(19)23-21(26)15-24(2)14-16-7-10-20(22)29-16/h7-10,13H,3-6,11-12,14-15H2,1-2H3/p+1