[1-butyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-4-yl]-(4-methylsulfonylphenyl)methanone dihydrochloride

Systemtic Name: [1-butyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-4-yl]-(4-methylsulfonylphenyl)methanone dihydrochloride Openeye Name: [1-butyl-1-[2-(3-pyridyl)ethyl]piperidin-1-ium-4-yl]-(4-methylsulfonylphenyl)methanone dihydrochloride CAS Name: [1-butyl-1-[2-(3-pyridinyl)ethyl]-4-piperidin-1-iumyl]-(4-methylsulfonylphenyl)methanone dihydrochloride IUPAC Name: [1-butyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-4-yl]-(4-methylsulfonylphenyl)methanone dihydrochloride Traditional Name: [1-butyl-1-[2-(3-pyridyl)ethyl]piperidin-1-ium-4-yl]-(4-mesylphenyl)methanone dihydrochloride Formula: C24H35Cl2N2O3S+ MolecularWeight: 502.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C)CCC3=CN=CC=C3.Cl.Cl

Isomeric SMILES

CCCC[N+]1(CCC(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C)CCC3=CN=CC=C3.Cl.Cl

InChI

InChI=1S/C24H33N2O3S.2ClH/c1-3-4-15-26(16-11-20-6-5-14-25-19-20)17-12-22(13-18-26)24(27)21-7-9-23(10-8-21)30(2,28)29;;/h5-10,14,19,22H,3-4,11-13,15-18H2,1-2H3;2*1H/q+1;;