N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,4,5-trimethyl-benzenesulfonamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,4,5-trimethyl-benzenesulfonamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,4,5-trimethyl-benzenesulfonamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-2,4,5-trimethylbenzenesulfonamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,4,5-trimethylbenzenesulfonamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,4,5-trimethyl-benzenesulfonamide Formula: C20H33N2O2S+ MolecularWeight: 365.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)C

InChI

InChI=1S/C20H32N2O2S/c1-15-12-17(3)20(13-16(15)2)25(23,24)21-14-18-8-10-22(11-9-18)19-6-4-5-7-19/h12-13,18-19,21H,4-11,14H2,1-3H3/p+1