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

Systemtic Name: methyl 1-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4S/c1-3-26-20-8-7-18(31(28,29)25-11-5-4-6-12-25)15-19(20)23-21(26)16-24-13-9-17(10-14-24)22(27)30-2/h7-8,15,17H,3-6,9-14,16H2,1-2H3/p+1