N-[4-(1-butylpiperidin-1-ium-1-yl)carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-(1-butylpiperidin-1-ium-1-yl)carbonylphenyl]methanesulfonamide Openeye Name: N-[4-(1-butylpiperidin-1-ium-1-carbonyl)phenyl]methanesulfonamide CAS Name: N-[4-[(1-butyl-1-piperidin-1-iumyl)-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-(1-butylpiperidin-1-ium-1-carbonyl)phenyl]methanesulfonamide Traditional Name: N-[4-(1-butylpiperidin-1-ium-1-carbonyl)phenyl]methanesulfonamide Formula: C17H27N2O3S+ MolecularWeight: 339.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCCC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCC[N+]1(CCCCC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C17H26N2O3S/c1-3-4-12-19(13-6-5-7-14-19)17(20)15-8-10-16(11-9-15)18-23(2,21)22/h8-11H,3-7,12-14H2,1-2H3/p+1