ethyl (3R)-1-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H33N4O5S+ MolecularWeight: 465.58622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCC[C@H](C4)C(=O)OCC

InChI

InChI=1S/C22H32N4O5S/c1-3-26-20-8-7-18(32(28,29)25-10-12-30-13-11-25)14-19(20)23-21(26)16-24-9-5-6-17(15-24)22(27)31-4-2/h7-8,14,17H,3-6,9-13,15-16H2,1-2H3/p+1/t17-/m1/s1