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

Systemtic Name: methyl 1-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H31N4O5S+ MolecularWeight: 451.55964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCC(CC4)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCC(CC4)C(=O)OC

InChI

InChI=1S/C21H30N4O5S/c1-3-25-19-5-4-17(31(27,28)24-10-12-30-13-11-24)14-18(19)22-20(25)15-23-8-6-16(7-9-23)21(26)29-2/h4-5,14,16H,3,6-13,15H2,1-2H3/p+1