N-[4-[1-methyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[1-methyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[1-methyl-1-[2-(3-pyridyl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[1-methyl-1-[2-(3-pyridinyl)ethyl]-4-piperidin-1-iumyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-methyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-methyl-1-[2-(3-pyridyl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)CCC3=CN=CC=C3

Isomeric SMILES

C[N+]1(CCC(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)CCC3=CN=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-24(13-9-17-4-3-12-22-16-17)14-10-19(11-15-24)21(25)18-5-7-20(8-6-18)23-28(2,26)27/h3-8,12,16,19H,9-11,13-15H2,1-2H3/p+1