ethyl 4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H34N5O4S+ MolecularWeight: 464.60146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C22H33N5O4S/c1-3-27-20-9-8-18(32(29,30)26-10-6-5-7-11-26)16-19(20)23-21(27)17-24-12-14-25(15-13-24)22(28)31-4-2/h8-9,16H,3-7,10-15,17H2,1-2H3/p+1