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

Systemtic Name: N-[4-[1-butyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[1-butyl-1-[2-(3-pyridyl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[1-butyl-1-[2-(3-pyridinyl)ethyl]-4-piperidin-1-iumyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-butyl-1-(2-pyridin-3-ylethyl)piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-butyl-1-[2-(3-pyridyl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3S/c1-3-4-15-27(16-11-20-6-5-14-25-19-20)17-12-22(13-18-27)24(28)21-7-9-23(10-8-21)26-31(2,29)30/h5-10,14,19,22H,3-4,11-13,15-18H2,1-2H3/p+1