methyl 4-(5-methyl-3-methylsulfonyl-2-oxidanylidene-1-piperidin-4-yl-benzimidazol-1-ium-1-yl)piperidine-1-carboxylate

Systemtic Name: methyl 4-(5-methyl-3-methylsulfonyl-2-oxidanylidene-1-piperidin-4-yl-benzimidazol-1-ium-1-yl)piperidine-1-carboxylate Openeye Name: methyl 4-[5-methyl-3-methylsulfonyl-2-oxo-1-(4-piperidyl)benzimidazol-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-methyl-3-methylsulfonyl-2-oxo-1-(4-piperidinyl)-1-benzimidazol-1-iumyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(5-methyl-3-methylsulfonyl-2-oxo-1-piperidin-4-ylbenzimidazol-1-ium-1-yl)piperidine-1-carboxylate Traditional Name: 4-[2-keto-3-mesyl-5-methyl-1-(4-piperidyl)benzimidazol-1-ium-1-yl]piperidine-1-carboxylic acid methyl ester Formula: C21H31N4O5S+ MolecularWeight: 451.55964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C(=O)N2S(=O)(=O)C)(C3CCNCC3)C4CCN(CC4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(=O)N2S(=O)(=O)C)(C3CCNCC3)C4CCN(CC4)C(=O)OC

InChI

InChI=1S/C21H31N4O5S/c1-15-4-5-19-18(14-15)24(31(3,28)29)20(26)25(19,16-6-10-22-11-7-16)17-8-12-23(13-9-17)21(27)30-2/h4-5,14,16-17,22H,6-13H2,1-3H3/q+1