methyl 4-(3-methylsulfonyl-2-oxidanylidene-1-piperidin-4-yl-benzimidazol-1-ium-1-yl)piperidine-1-carboxylate

Systemtic Name: methyl 4-(3-methylsulfonyl-2-oxidanylidene-1-piperidin-4-yl-benzimidazol-1-ium-1-yl)piperidine-1-carboxylate Openeye Name: methyl 4-[3-methylsulfonyl-2-oxo-1-(4-piperidyl)benzimidazol-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-methylsulfonyl-2-oxo-1-(4-piperidinyl)-1-benzimidazol-1-iumyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-methylsulfonyl-2-oxo-1-piperidin-4-ylbenzimidazol-1-ium-1-yl)piperidine-1-carboxylate Traditional Name: 4-[2-keto-3-mesyl-1-(4-piperidyl)benzimidazol-1-ium-1-yl]piperidine-1-carboxylic acid methyl ester Formula: C20H29N4O5S+ MolecularWeight: 437.53306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)[N+]2(C3=CC=CC=C3N(C2=O)S(=O)(=O)C)C4CCNCC4

Isomeric SMILES

COC(=O)N1CCC(CC1)[N+]2(C3=CC=CC=C3N(C2=O)S(=O)(=O)C)C4CCNCC4

InChI

InChI=1S/C20H29N4O5S/c1-29-20(26)22-13-9-16(10-14-22)24(15-7-11-21-12-8-15)18-6-4-3-5-17(18)23(19(24)25)30(2,27)28/h3-6,15-16,21H,7-14H2,1-2H3/q+1